Molecule Details

MAK-UNK-95198336-11 View Submission
O=C(CCl)N1C[S+]([O-])C1
Molecular Properties
SMILES:
O=C(CCl)N1C[S+]([O-])C1
MW: 166.98
Fraction sp3: 0.75
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 43.37
cLogP: -0.27
Covalent Warhead: ✔️
Covalent Fragment: ✔️

charged oxygen or sulfur atoms

Cations

Filter22_sulfonium_salt

quaternary

Tri_Pentavalent_S

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

LON-WEI-8f408cad-3

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CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21
0.441

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.433

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

SAD-SAT-1b030f84-9
0.433

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.419

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.419

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.419

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.394

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

MAK-UNK-987948f6-4
0.375

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.371

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.371

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.361

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CC(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-5
0.359

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C=CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-16
0.359

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O=C1CN(C(=O)CCl)CN1

SAD-SAT-edc8a235-10
0.359

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.351

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NC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-11
0.351

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O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.351

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.342

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.342

View
O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.342

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NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.341

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.333

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.326

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.324

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.317

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N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.317

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CNC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-12
0.317

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NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-1
0.317

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.317

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.314

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NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.311

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N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.310

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O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.310

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O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.310

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.308

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.308

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C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.302

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.302

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CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-4
0.295

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

VIK-SYN-bf9c9ac8-2
0.295

View
O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.295

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CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-1
0.295

View
N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.295

View
O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.295

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NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.295

View
NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.295

View
CC(C)NC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-1
0.289

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O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

WAR-XCH-b0339bbe-18
0.289

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CNC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-2
0.289

View
N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.289

View
N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.289

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N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.289

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.283

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O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.283

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.283

View
O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.280

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O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.280

View
O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.279

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

MAK-UNK-7c9d1431-13
0.278

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

MAR-TRE-6a44bbf2-78
0.278

View
NC(=O)C1CCCN(C(=O)CCl)C1

SAD-SAT-65574d3f-6
0.277

View
O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.275

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O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1

SAD-SAT-1b030f84-5
0.275

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

SAD-SAT-3a925b8b-1
0.275

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O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

AAR-POS-0daf6b7e-9
0.271

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.271

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O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.271

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O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

VIR-GIT-7b3d3065-2
0.271

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N#CC1CCCN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-2
0.271

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Cc1ccccc1CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-10
0.269

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CCCN(CC)C(=O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-5
0.269

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CC(=O)N1CCN(C(=O)CCl)C[C@@H]1CC(N)=O

DAN-PUR-3907f623-1
0.269

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.268

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.268

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.268

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

MAK-UNK-c74072e5-8
0.268

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.265

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.265

View
O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.265

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

DRR-IMP-38dce17f-3
0.265

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.265

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

MAK-UNK-987948f6-2
0.265

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

DRR-IMP-dff87f5e-3
0.264

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

AAR-POS-d2a4d1df-44
0.264

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

MAT-POS-162a9720-5
0.264

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

MAK-UNK-7c9d1431-10
0.263

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.262

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.262

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O=C(CCl)N1C=CCS1(=O)=O

MAK-UNK-6c8f5f75-6
0.262

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.262

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CC1CN(C(=O)CCl)C(C)O1

SAD-SAT-d8079f6f-1
0.262

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.261

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

DRR-IMP-db50bf6e-3
0.260

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O=C(CCl)N1CCN(S(=O)(=O)C2CCCCC2)CC1

DRR-IMP-11d47bff-1
0.260

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CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.260

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.260

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

MAT-POS-162a9720-4
0.260

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CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.260

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O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.260

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O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.260

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Discussion:

Contributor: Maksym Voznyy - Thu, 21 May 2020 23:43:53 +0000