Molecule Details

LON-WEI-8f408cad-2 View Submission
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
piperazine-chloroacetamide Enamine Mcule MolPort Assayed
View on Fragalysis x0755
Molecular Properties
SMILES:
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
MW: 338.763
Fraction sp3: 0.42
HBA: 3
HBD: 0
Rotatable Bonds: 3
TPSA: 57.69
cLogP: 1.0365
Covalent Warhead: ✔️
Covalent Fragment: ✗
Source
Enamine BB: EN300-22862
Enamine SCR: Z147647646
Enamine REAL: Z212045114
Mcule: MCULE-1689360562
MolPort: MolPort-002-470-581
Activity Data
IC50 (µM) - Fluorescence: 3.2845112447793
IC50 (µM) - RapidFire: 2.62321369026417
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.48352924695279
Average Inhibition @ 20 µM - Fluorescence: 98.65946
Average Inhibition @ 50 µM - Fluorescence: 103.96275
Average Inhibition @ 20 µM - RapidFire: 98.6225
Average Inhibition @ 50 µM - RapidFire: 99.205
Relative Solubility @ 20 µM: 0.96
Relative Solubility @ 100 µM: 0.88
Order Status
Shipped: 2020-04-17

Activated haloaromatics

Hetero_hetero

O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

MAR-TRE-6a44bbf2-4
1.000

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

LON-WEI-8f408cad-2
1.000

View
O=C(CCl)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1

BEN-DND-76ad4ac9-12
0.796

View
O=C(CB(O)O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

JAG-SYN-9c2cd0bd-13
0.691

View
CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

MAK-UNK-6435e6c2-6
0.667

View
C=CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

JAG-SYN-9c2cd0bd-1
0.618

View
O=C(CCl)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

BEN-DND-76ad4ac9-2
0.607

View
C#CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

JAG-SYN-9c2cd0bd-2
0.607

View
N#CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

MAK-UNK-10dfa458-27
0.607

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

MAR-TRE-6a44bbf2-8
0.586

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

AAR-POS-d2a4d1df-34
0.586

View
O=C(C1CO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

JAG-SYN-9c2cd0bd-12
0.576

View
O=S(=O)(c1c(F)cccc1F)N1CCN(CCCl)CC1

JAG-SYN-9c2cd0bd-11
0.571

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

LON-WEI-8f408cad-4
0.569

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

MAR-TRE-6a44bbf2-18
0.569

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

AAR-POS-d2a4d1df-23
0.569

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O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

MAR-TRE-6a44bbf2-52
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

MAR-TRE-6a44bbf2-58
0.534

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O=S(=O)(c1c(F)cccc1F)N1CCN(CB(O)O)CC1

JAG-SYN-9c2cd0bd-15
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

AAR-POS-d2a4d1df-22
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

KAY-MCD-d0fe5261-1
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAR-TRE-6a44bbf2-21
0.526

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O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAK-UNK-7c9d1431-9
0.526

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

ABB-MCD-f8003a30-1
0.525

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

MAR-TRE-6a44bbf2-32
0.525

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1

MAK-UNK-7c9d1431-10
0.525

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

AAR-POS-d2a4d1df-44
0.517

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O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

NAU-LAT-64f4b287-1
0.515

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-15
0.508

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

IND-SYN-6c8299e8-2
0.508

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O=C(CCl)N1CCCN(S(=O)(=O)c2ccccc2F)CC1

BEN-DND-76ad4ac9-11
0.508

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

MAK-UNK-7c9d1431-12
0.500

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-65
0.500

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1

NIM-UNI-05f93fcc-1
0.500

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

TAT-ENA-80bfd3e5-43
0.500

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAK-UNK-7c9d1431-11
0.500

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O=C(Cc1c[nH]c2ncccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

SWA-SYN-d2e6fa14-4
0.500

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O=C(Cc1c[nH]c2ncccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

SWA-SYN-6423ea73-4
0.500

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1

NIM-UNI-05f93fcc-2
0.493

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Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-24
0.492

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

TAT-ENA-80bfd3e5-25
0.485

View
O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

MAK-UNK-7c9d1431-4
0.485

View
O=C(CCl)N1CCCN(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-14
0.485

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

MAK-UNK-7c9d1431-6
0.484

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-27
0.483

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-2
0.483

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-68
0.483

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)CC1

MAT-POS-ee51dedd-2
0.483

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)s2)CC1

NIM-UNI-05f93fcc-3
0.478

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Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1

NIM-UNI-05f93fcc-11
0.478

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-78
0.475

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)CC=C2)CC1

SAD-SAT-3a925b8b-6
0.475

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-13
0.475

View
N#Cc1c(F)cccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-bc31ec01-10
0.473

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](c2ccccc2)C1

JOE-SYG-2c9a1216-1
0.472

View
O=C(CCl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

SAD-SAT-bc31ec01-5
0.467

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccncc3)s2)CC1

NIM-UNI-310206f0-69
0.464

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)s2)CC1

NIM-UNI-05f93fcc-14
0.464

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)CC1

MAK-UNK-c74072e5-8
0.460

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C

MAK-UNK-7c9d1431-8
0.460

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-17
0.460

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C

MAR-TRE-6a44bbf2-26
0.460

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=C2)CC1

MAK-UNK-d4768348-1
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=N2)CC1

MAK-UNK-d4768348-4
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCC=C2)CC1

SAD-SAT-3a925b8b-9
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1

NIM-UNI-05f93fcc-10
0.458

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)C2(CCOC2)C1

JOE-SYG-2c9a1216-3
0.458

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-7
0.455

View
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1c(F)cccc1F

MAK-UNK-3f402c2b-9
0.455

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-37
0.455

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CN[SH]=C2)CC1

MAK-UNK-d4768348-2
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCS(O)=C2)CC1

MAK-UNK-d4768348-8
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)c2cocn2)CC1

SAD-SAT-3a925b8b-3
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCN=C2)CC1

MAK-UNK-d4768348-5
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc[nH]3)s2)CC1

NIM-UNI-05f93fcc-5
0.451

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cncnc3)s2)CC1

NIM-UNI-310206f0-67
0.451

View
O=C(CCl)N1CCCN(S(=O)(=O)c2cccs2)CC1

BEN-DND-76ad4ac9-13
0.448

View
CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2cccs2)CC1

MAK-UNK-902cc841-9
0.447

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c(C)c1

AAR-POS-d2a4d1df-36
0.446

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

AAR-POS-0daf6b7e-3
0.446

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

WAR-XCH-79d12f6e-6
0.446

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-13
0.446

View
O=C(CCl)N1CCN(S(=O)(=O)C2=NC[SH]=C2)CC1

MAK-UNK-d4768348-3
0.444

View
CS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1

MAK-UNK-d4768348-7
0.444

View
O=C(CCl)N1CCCN(S(=O)(=O)c2cc(F)ccc2F)CC1

BEN-DND-76ad4ac9-10
0.443

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

MAK-UNK-7c9d1431-3
0.441

View
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-22
0.439

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cccnc3)s2)CC1

NIM-UNI-05f93fcc-6
0.438

View
COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1

NIM-UNI-05f93fcc-15
0.438

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3nccs3)s2)CC1

NIM-UNI-05f93fcc-13
0.437

View
CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccsc2)CC1

MAK-UNK-902cc841-10
0.436

View
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAK-UNK-7c9d1431-30
0.435

View
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-45
0.435

View
O=C(CCl)N1CCN(c2ccccc2F)CC1

SAD-SAT-5b1897b2-10
0.433

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1OC

MAK-UNK-7c9d1431-19
0.433

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1

SAD-SAT-9a6c5cf3-10
0.432

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C3CC3[SH]=C2)CC1

SAD-SAT-3a925b8b-7
0.431

View
O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

AHN-SAT-de2502ba-15
0.431

View
O=C(CCl)N1CCN(S(=O)(=O)c2cpcc(Cl)c2)CC1

SAD-SAT-bc31ec01-4
0.431

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

1.000

View
O=C(CO)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.745

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CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.745

View
NCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.731

View
NCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.717

View
CSCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.704

View
C=C(Cl)CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.696

View
CCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.691

View
O=C(CC(F)(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.691

View
CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.691

View
CC(=O)CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.691

View
CC(C)(C)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.691

View
O=C(CC1=CC=CC=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.684

View
O=C(CC1=C(F)C=CC=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

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CN(C)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

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CC(C)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
COCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
O=C(CC1CC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
N#CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
NOCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
CNCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
CCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
CC(F)(F)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
COC(=O)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.679

View
C=CCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.672

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CC(C)(O)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.667

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O=C(CCC(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.667

View
NCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.667

View
CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.667

View
O=C(CC1=C(Cl)C=CC=C1Cl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.661

View
CC(C)(C)OCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.661

View
O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.661

View
O=C(CN1CCCC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
O=C(CCC(F)(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
CCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
O=C(CSC(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
C[C@@H](N)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
C[C@H](N)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
CC(C)(N)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
CC(N)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
O=C(CC1CCC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
O=C(CSC(F)(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
CC1(CC(=O)N2CCN(S(=O)(=O)C3=C(F)C=CC=C3F)CC2)CC1

0.655

View
CCSCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.655

View
O=C(CC1=CC=C(Cl)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.650

View
O=C(CC1CC1(Cl)Cl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.650

View
O=C(CC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CCC(CC)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CC(C)CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
C#CCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
NC(=O)CSCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
O=C(COC(F)F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CC(=O)NCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CCOCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CSCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
CC(=O)CCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
COCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.644

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1

0.642

View
O=C(CC1=C(Cl)C=CC=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.639

View
O=C(CC1=CC=CC=C1Cl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.639

View
O=C(CC1=CC=CC(Cl)=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.635

View
O=C(CC1=CC=C(F)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CC1=C(F)C(F)=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
CCCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1)N1CCOCC1

0.633

View
O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(O)COCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CC1(C(F)(F)F)CC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CC1CCCC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CCC1CC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
CCC(C)(C)CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.633

View
O=C(CCC1=CC=CC=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.629

View
CCC(=O)N1CCCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.627

View
CC1=CC=CC(C)=C1CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
O=C(COC1=C(F)C=CC=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
O=C(CN1CCCCCCC1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
CCCCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
O=C(CC1=CC=C(O)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
O=C(CC1=CC(F)=C(F)C=C1F)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.623

View
O=C(CS(=O)(=O)C1=CC=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.613

View
CCC1=CC=C(CC(=O)N2CCN(S(=O)(=O)C3=C(F)C=CC=C3F)CC2)C=C1

0.613

View
O=C(CC1=CC=C(Br)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.613

View
O=C(CSCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1)N1CCCCC1

0.613

View
O=C(CC1=CC=NC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.613

View
CC1=CC=CC(Cl)=C1CC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.609

View
O=C(COC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.603

View
CCCCCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.603

View
O=C(CCC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.603

View
O=C(CC1=CC(F)=CC=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.603

View
O=C(CC1=CC=C(F)C(F)=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.603

View
O=C(COC1=CC=C(Cl)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.600

View
CCCCCCCCC(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.594

View
O=C(CN1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1)N1CCC1

0.593

View
O=C(COC1=CC=C(F)C=C1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.585

View
O=C(C1=C(Cl)C=CC=C1Cl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.583

View
O=C(CN1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1)N1CCCC1

0.583

View
O=C(N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1)C12CC(F)(C1)C2

0.557

View
O=C(CC1=C(F)C=CC=C1F)N1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1

0.531

View
Fc1cccc(F)c1S(=O)(=O)N1CCN(CC1)C(=O)CCl

1.000

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F

0.667

View
Fc1cccc(F)c1S(=O)(=O)N1CCN(CC1)C(=O)CC1CCCC1

0.633

View
Fc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)CCl

0.586

View
Fc1cccc(F)c1S(=O)(=O)N1CCN(CC1)C(=O)C1CCC1

0.576

View
Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)CCl

0.569

View
CCN1CCN(CC1)S(=O)(=O)c1c(F)cccc1F

0.545

View
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCl

0.534

View
ClCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1

0.526

View
Fc1ccc(cc1F)S(=O)(=O)N1CCN(CC1)C(=O)CCl

0.525

View
Cl.Fc1cccc(F)c1S(=O)(=O)N1CCNCC1

0.509

View
CC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.397

View
COCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.391

View
Fc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)CN1CCCCC1

0.370

View
Fc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)CSc1ccccc1

0.365

View
CC(=O)N1CCN(CCNS(=O)(=O)c2c(F)cccc2F)CC1

0.362

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.359

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1

0.359

View
CC1CC1C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.357

View
CC1CCN(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2F)CC1

0.355

View
CCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F

0.352

View
Fc1ccc(c(F)c1)S(=O)(=O)N1CCN(CC1)C(=O)CCC=C

0.351

View
CNC(=O)CN(CC(=O)NC)CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.351

View
CCC(C)C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.351

View
CSCC(=O)N1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F

0.347

View
CC(C)(C)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.338

View
CN(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F)C1CCCCC1

0.338

View
COCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F

0.333

View
CC(O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F

0.329

View
CC1CCCN(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2F)C1

0.325

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1F

0.324

View
Fc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)C1CCC1

0.319

View
NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1F

0.319

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F

0.313

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1

0.312

View
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1c(F)cccc1F

0.310

View
CC(=O)N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1F

0.300

View
CCN1CCN(CC1)S(=O)(=O)c1ccccc1F

0.284

View
CCCNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1F

0.275

View
CN1CCN(CC1)S(=O)(=O)c1ccccc1F

0.273

View
CN(C)CCN(CCN(C)C)S(=O)(=O)c1c(F)cccc1F

0.270

View
Fc1ccccc1S(=O)(=O)N1CCN(CC#N)CC1

0.264

View
Cl.Fc1ccccc1S(=O)(=O)NCCN1CCN(CC1)S(=O)(=O)c1ccccc1F

0.250

View
CN(C)C(=O)CN1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F

0.237

View
Cl.CCN1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F

0.233

View
CN1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F

0.225

View
CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(F)cc2F)CC1

0.225

View
CC(=O)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2F)CC1

0.225

View
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccccc1F

0.205

View
N1(S(=O)(=O)C2=C(F)C=CC=C2F)CCN(C(C)=O)CC1

0.965

View
N1(S(=O)(=O)C2=C(F)C=CC=C2F)CCN(C=O)CC1

0.932

View
N1(S(=O)(=O)C2=C(F)C=CC=C2F)CCN(CC)CC1

0.914

View
N1(S(=O)(=O)C2=C(F)C=CC=C2F)CCN(C)CC1

0.901

View
N1(S(=O)(=O)C2=C(F)C=CC=C2F)CCN(CC#N)CC1

0.897

View

Discussion:

Contributor: London Lab, Weizmann Institute of Science - Fri, 1 May 2020 04:05:00 +0000