Molecule Details

O=C(NCCNc1ccccc1)c1cc(=O)[nH]c2ccccc12
quinolones Enamine Assayed
View on Fragalysis x10403
Molecular Properties
SMILES:
O=C(NCCNc1ccccc1)c1cc(=O)[nH]c2ccccc12
MW: 307.13
Fraction sp3: 0.11
HBA: 3
HBD: 3
Rotatable Bonds: 5
TPSA: 73.99
cLogP: 2.37
Covalent Warhead:
Covalent Fragment:
Source
Enamine Extended REAL: s_22____5128420____59160
Activity Data
IC50 (µM) - Fluorescence: 99.5
Trypsin IC50 (µM): 99.0
Average Inhibition @ 20 µM - Fluorescence: 32.0318
Average Inhibition @ 50 µM - Fluorescence: 61.57364
Average Inhibition @ 50 µM - RapidFire: 35.378119435
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 0.98
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-10

Aliphatic long chain

O=C(NCCOc1ccccc1)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-5
0.620

View
CN(CCNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1

BEN-DND-7e92b6ca-3
0.587

View
O=C(NCCc1cccc2ccccc12)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-9
0.558

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc12

DAR-DIA-8e329c92-11
0.530

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

MAT-POS-916a2c5a-2
0.525

View
COc1cccc(NCNC(=O)c2cc(=O)[nH]c3ccccc23)c1

DAR-DIA-8e329c92-10
0.512

View
Cn1c(=O)n(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

ADA-UCB-b1b30a00-1
0.506

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2c1CCCC2

DAR-DIA-8e329c92-12
0.494

View
COc1ccc(Cl)cc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-05819dc4-1
0.488

View
COc1c(Cl)cccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-3fc1724e-1
0.488

View
O=C1CCC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-14
0.467

View
CN1CCCc2c(S(N)(=O)=O)ccc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)c21

DAR-DIA-8e329c92-13
0.464

View
O=C(NCCOc1cccc2c1CCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-1
0.462

View
O=C(NCCOc1cccc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-15
0.457

View
O=C1CC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-13
0.457

View
O=C(NCCOc1cccc2c1OCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-2
0.453

View
O=C(NCCOc1cccc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-16
0.452

View
O=C1CCC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-18
0.448

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ALP-POS-3fc1724e-2
0.447

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-17
0.447

View
O=C(NCCOc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-19
0.438

View
O=C(NCCOc1cc(Cl)cc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-20
0.433

View
COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-6
0.432

View
O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccccc12

KRI-MAR-d2e3ef86-12
0.419

View
CN1CCN(c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1

KRI-MAR-d2e3ef86-15
0.414

View
O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-6
0.400

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

DAR-DIA-8e329c92-4
0.396

View
COc1ccccc1O[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-4
0.393

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.388

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.388

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

EDJ-MED-78f964c8-1
0.386

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

MAT-POS-916a2c5a-4
0.386

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

BEN-DND-7e92b6ca-7
0.379

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC1

DAR-DIA-8e329c92-5
0.379

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1

ALP-POS-3fc1724e-3
0.378

View
COc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

ADA-UCB-b1b30a00-2
0.372

View
COc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-3
0.372

View
O=C(CCc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-2
0.372

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1

BEN-DND-7e92b6ca-16
0.372

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCCCC1

DAR-DIA-8e329c92-7
0.364

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1

BEN-DND-7e92b6ca-14
0.360

View
O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1

LON-WEI-1908424e-9
0.360

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O=C(c1cc(=O)[nH]c2ccccc12)N1CC2CC1CN2c1ccccc1

MAK-UNK-df1a028e-3
0.360

View
O=C(COc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-3
0.358

View
COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-2
0.356

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(F)c2)CC1

BEN-DND-7e92b6ca-15
0.356

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-32
0.355

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-22
0.353

View
COc1ccccc1OCC(CN1CCOCC1)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-8
0.346

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-4
0.344

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

MAT-POS-916a2c5a-3
0.344

View
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cncnc1

MAR-TRE-92684b97-53
0.341

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1

KRI-MAR-d2e3ef86-6
0.340

View
O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-1
0.337

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCn2ccnc2C1

BEN-DND-7e92b6ca-9
0.337

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12

MAT-POS-590ac91e-42
0.337

View
O=C(Nc1cccnc1)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(-c2ccccc2)c1

ALP-POS-ddb41b15-5
0.336

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-20
0.330

View
O=C(NCC1COc2ccccc2O1)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-30
0.327

View
O=C1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12

JAN-GHE-82a280f8-1
0.326

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

BEN-DND-7e92b6ca-11
0.326

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

KRI-MAR-d2e3ef86-13
0.326

View
COc1ccccc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-13
0.326

View
CN(C)c1cncc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-3
0.324

View
Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-7
0.323

View
COc1cc(Cl)cc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1F

ALP-POS-3fc1724e-4
0.320

View
COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

BEN-DND-7e92b6ca-12
0.319

View
O=C(NCC1COc2ccccc2O1)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-31
0.316

View
COc1cccc(CCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-4
0.314

View
Cc1ccncc1NC(=O)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-1
0.314

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-2
0.314

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CC3CC2CN3C(=O)c2cc(=O)[nH]c3ccccc23)c1C

MAK-UNK-df1a028e-2
0.313

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-17
0.313

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(N(C)C)c1

ALP-POS-ddb41b15-10
0.311

View
O=C1C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-21
0.310

View
COc1ccccc1OC(C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-38
0.306

View
COc1ccccc1OC(C)CNC(=O)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-39
0.306

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4cc(F)ccc34)c2O1

MAT-POS-590ac91e-46
0.296

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccc(F)cc34)c2O1

MAT-POS-590ac91e-47
0.296

View
COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-2
0.295

View
COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-4
0.295

View
O=C(Nc1cc(=O)[nH]c2ccccc12)N(CCC1CCCCC1)c1ccccc1

MAT-UCB-70f7c0f7-5
0.293

View
COc1ccccc1OCC(C)NC(=O)c1cc(=O)[nH]c2ccc(F)cc12

MAT-POS-590ac91e-41
0.293

View
O=C1CC(Oc2cccc(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)c2)N1

ERI-UCB-ce40166b-21
0.291

View
O=C(CCc1cc(=O)[nH]c2ccccc12)Nc1ncnc2[nH]cnc12

VLA-UCB-38f570bb-1
0.287

View
O=C(CNC(=O)c1c[nH]c2ccccc12)Nc1cccnc1

MAR-TRE-74c6519b-68
0.286

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(F)c12

EDJ-MED-6af13d92-2
0.286

View
CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)c2O1

MAT-POS-590ac91e-53
0.282

View
COc1cc(Cl)cc(CC(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-POS-3b92565d-5
0.281

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12

EDJ-MED-6af13d92-3
0.281

View
COc1ccccc1OCC(C)NC(=O)c1cc(=O)[nH]c2cc(F)ccc12

MAT-POS-590ac91e-40
0.280

View
COc1ccccc1CO[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-11
0.278

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.278

View
O=C(NCCNc1ccncc1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1

ERI-BAS-962ecb40-1
0.276

View
O=C(NCC(=O)c1c[nH]c2ccccc12)c1cncnc1

MAR-TRE-4f781e27-96
0.273

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(C)c12

EDJ-MED-6af13d92-1
0.273

View
O=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1

MAT-POS-590ac91e-70
0.270

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-6
0.269

View
O=C(NCCn1c(=O)[nH]c2ccccc2c1=O)c1cncnc1

MAR-TRE-66ac689e-91
0.269

View
O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1

CUN-WAB-25b584ee-2
0.268

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.662

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.662

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.640

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=C1C=CC=C2Br

0.587

View
O=C(NCCNC1=CC=CC=C1)C1=C[NH]C2=CC=CC=C2C1=O

0.554

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O

0.544

View
O=C(NCCNC1=CC=CC=C1)C1=C2C=CC=CC2=CC(Br)=C1

0.541

View
O=C(NCCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.538

View
O=C(NCCNC1=CC=CC=C1)C1=C(Cl)C2=CC=CC=C2[NH]1

0.534

View
O=C(NCCNC1=CC=CC=C1)C1=C(Br)C2=CC=CC=C2[NH]1

0.534

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2[NH]C1=O

0.533

View
O=C(NCCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.532

View
CC1=C(C(=O)NCCNC2=CC=CC=C2)C2=CC=CC=C2[NH]1

0.527

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C2[NH]C3=CC=CC=C3C(=O)C2=C1

0.512

View
O=C(NCCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.512

View
CC1=CC(=O)[NH]C=C1C(=O)NCCNC1=CC=CC=C1

0.507

View
CN1C(=O)C=C(C(=O)NCCNC2=CC=CC=C2)C2=CC=CC=C21

0.506

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC2=CC=CC=C12

0.500

View
O=C(NCCNC1=CC=CC=C1)C1=C2C=CC=CC2=NC(Cl)=C1

0.500

View
O=C(NCCNC1=CC=CC=C1)C1=C[NH]C(=O)C2=CC=CC=C12

0.500

View
O=C(NCCNC1=CC=CC=C1)C1=C2C=CC=CC2=NC(O)=C1

0.500

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=C1CCCC2

0.494

View
CC1=CC(C(=O)NCCNC2=CC=CC=C2)=C2C=CC=CC2=N1

0.494

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2C(=O)[NH]1

0.494

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC2=C1C=C[NH]2

0.493

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C(F)C2=CC=CC=C12

0.493

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2[NH]1

0.486

View
O=C(NCCNC1=CC=CC=C1)C1=N[NH]C2=CC=CC=C12

0.486

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C(C(F)(F)F)[NH]C1=O

0.486

View
CC1=CC(C(=O)NCCNC2=CC=CC=C2)=C(C)S1

0.486

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC2=C1OC(=O)[NH]2

0.481

View
CC1=C(C)[NH]C(=O)C(C(=O)NCCNC2=CC=CC=C2)=C1

0.480

View
O=C(NCCNC1=CC=CC=C1)C1=COC2=CC=CC=C12

0.480

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C(Cl)=C1

0.479

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC=C1I

0.478

View
CC1=CC(=O)[NH]C2=CC(C(=O)NCCNC3=CC=CC=C3)=CC=C12

0.475

View
O=C(NCCNC1=CC=CC=C1)C1=N[NH]C2=CC=CC=C2C1=O

0.474

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C(F)C=C1F

0.471

View
O=C(NCCNC1=CC=CC(Br)=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.471

View
O=C(NCCNC1=CC=CC(Br)=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.471

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC=C1F

0.471

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=C(C=CC3=CC=CC=C32)[NH]1

0.469

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=C(C=CC=C2F)[NH]1

0.468

View
O=C(NCCNC1=CC=CC=C1)C1=CN=CC2=CC=CC=C12

0.468

View
O=C(NCCNC1=CC=CC2=CC=CC=C12)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.466

View
O=C(NCCNC1=CC=CC2=CC=CC=C12)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.466

View
O=C(NCCNC1=CC=CC=C1)C1=C(F)C=C(F)C(F)=C1

0.465

View
O=C(NCCCNC1=CC=CC=C1)C1=CC(=O)[NH]C2=C1C=CC=C2Br

0.464

View
CN1C=C(C(=O)NCCNC2=CC=CC=C2)C2=CC=CC=C2C1=O

0.462

View
O=C(NCCNC1=CC=CC(Br)=C1)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.461

View
O=C(NCCNC1=CC=CC=C1)C1=C(Cl)C=C(F)C(Cl)=C1

0.459

View
O=C(NCCNC1=CC=CC=C1)C1=CC(F)=CC=C1I

0.459

View
O=C(NCCNC1=CC=C([N+](=O)[O-])C=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.459

View
O=C(NCCNC1=CC=C([N+](=O)[O-])C=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.459

View
O=C(NCCNC1=CC=CC=C1)C1=C(F)C(F)=C(F)C(F)=C1

0.458

View
O=C(NCCNC1=CC=CC=C1)C1=CC=CC(=O)[NH]1

0.458

View
O=C(CC1=CC=CC=C1)NCCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.458

View
O=C(CC1=CC=CC=C1)NCCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.458

View
O=C(NCCNC1=CC=CC=C1)C1=C(F)C(F)=CC=C1

0.457

View
CC(=O)C1=CC=CC=C1C(=O)NCCNC1=CC=CC=C1

0.457

View
CCC1=CC(C(=O)NCCNC2=CC=CC=C2)=CC(=O)[NH]1

0.455

View
CN1C=C(C(=O)NCCNC2=CC=CC=C2)C2=CC=CC=C21

0.455

View
O=C(NCCNC1=CC=CC=C1)C1=CC=NC2=CC=CC=C12

0.455

View
O=C(NCCNC1=CC=CC=C1)C1=C2[NH]C3=CC=C(F)C=C3C(=O)C2=CC(F)=C1

0.453

View
CC1=CC=C(C(=O)NCCNC2=CC=CC=C2)C(C)=C1

0.452

View
O=C(NCCNC1=CC=CC=C1)C1=CC(F)=CC=C1F

0.452

View
O=C(NCCNC1=CC=CC=C1)C1=C(I)C=C(F)C(F)=C1

0.452

View
O=C(NCCNC1=CC=CC2=CC=CC=C12)C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12

0.451

View
O=C(NCCNC1=CC=CC=C1)C1=C[NH]C2=CC=C(Br)C=C12

0.450

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2C(=O)O1

0.449

View
COC1=CC(NCCNC(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)=CC(OC)=C1

0.447

View
COC1=CC(NCCNC(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)=CC(OC)=C1

0.447

View
O=C(NCCNC1=CC=CC=C1)C1=C(Cl)C=C(F)C(F)=C1

0.446

View
O=C(CCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12)NC1=CC=CC=C1

0.442

View
O=C(CCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12)NC1=CC=CC=C1

0.442

View
O=C(NCCNC1=CC=CC=N1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.442

View
O=C(NCCNC1=CC=CC=N1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.442

View
O=C(NCCNC1=CC=CC=C1)C1=C[NH]C2=CC=C(I)C=C2C1=O

0.440

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1F

0.440

View
CC1=CC(F)=C(C(=O)NCCNC2=CC=CC=C2)C=C1F

0.440

View
O=C(NCCNC1=CC=CC=C1)C1=CC(=O)[NH]C(C2CC2)=C1

0.438

View
O=C(NCCNC1=CC=CC=C1)C1=CC=C2[NH]C(=O)[NH]C2=C1

0.436

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2C2=CC=CN=C12

0.435

View
O=C(NCCS(=O)(=O)NC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.432

View
O=C(NCCS(=O)(=O)NC1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.432

View
O=C(NCCNC(=O)C1=CC(=O)[NH]C2=CC=C(F)C=C12)C1=CC=CC=C1F

0.427

View
O=C(NCCNC(=O)C1=CC(=O)[NH]C2=CC(F)=CC=C12)C1=CC=CC=C1F

0.427

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=C(C=C1F)N=N[NH]2

0.427

View
O=C(NCCNC1=CC=C2C=CC=CC2=N1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.424

View
O=C(NCCCNC1=CC=CC=C1)C1=C[NH]C2=CC=CC=C2C1=O

0.422

View
O=C(NCCCNC1=CC=CC=C1)C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O

0.420

View
O=C(NCCNS(=O)(=O)C1=CC=CC=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.420

View
O=C(NCCNS(=O)(=O)C1=CC=CC=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.420

View
O=C(NCCNC1=CC=C2C=CC=CC2=N1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.419

View
O=C(NCCNC1=CC=CC=C1)C1=CC2=C(C=CC=C2OC(F)F)[NH]1

0.419

View
O=C(NCCCNC1=CC=CC=C1)C1=CC2=CC=CC=C2[NH]C1=O

0.405

View
O=C(NCCNC1=CC(Br)=CC=C1)C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O

0.402

View
O=C(NCCCNC1=CC(F)=CC=C1)C1=CC(=O)[NH]C2=CC(F)=CC=C12

0.398

View
O=C(NCCCNC1=CC(F)=CC=C1)C1=CC(=O)[NH]C2=CC=C(F)C=C12

0.398

View
CN1C(=O)C=C(C(=O)NCCCNC2=CC=CC=C2)C2=CC=CC=C21

0.384

View
CC(=O)NCCNC(=O)c1cc(=O)[nH]c2ccccc12

0.677

View
CCNC(=O)c1cc(=O)[nH]c2ccccc12

0.609

View
O=C(Nc1ccccc1)c1cc(=O)[nH]c2ccccc12

0.606

View
Cc1cnccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12

0.603

View
O=C(NCC#C)c1cc(=O)[nH]c2ccccc12

0.597

View
CNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12

0.574

View
O=C(NCc1ccncc1)c1cc(=O)[nH]c2ccccc12

0.556

View
CC(C)NC(=O)c1cc(=O)[nH]c2ccccc12

0.515

View
Fc1ccc(NC(=O)CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1F

0.512

View
Cc1ccc2[nH]c(=O)cc(C(=O)NCCNc3cccnc3)c2c1

0.494

View
CCc1ccccc1NC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12

0.488

View
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.455

View
CN(Cc1ccccc1)C(=O)c1cc(=O)[nH]c2ccccc12

0.436

View
CN1CCN(CC1)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.414

View
CCN(CC(=O)NC(C)C)C(=O)c1cc(=O)[nH]c2ccccc12

0.393

View
CCN(C(C)C(=O)Nc1ccc(C)cc1)C(=O)c1cc(=O)[nH]c2ccccc12

0.389

View
O=C(N1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccccc12

0.388

View
O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12

0.386

View
O=C(N1CCNC(=O)C1)c1cc(=O)[nH]c2ccccc12

0.378

View
Fc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.372

View
CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(=O)[nH]c2ccccc12

0.367

View
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.360

View
FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.359

View
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.352

View
Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.344

View
O=C(N1CCN(Cc2cccc3ccccc23)CC1)c1cc(=O)[nH]c2ccccc12

0.340

View
O=C(N1CCN(CC1)c1ccccn1)c1cc(=O)[nH]c2ccccc12

0.333

View
Clc1ccccc1NC(=O)CN1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.327

View
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.326

View
Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.326

View
Cc1cccc(N2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)c1C

0.323

View
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.323

View
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.319

View
Cc1ccccc1N1CCCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.316

View
CN(CCNC(=O)c1cc(=O)n(C)c2ccccc12)c1ccccc1

0.266

View
Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12

0.204

View
Cn1c2ccccc2c(cc1=O)C(=O)N1CCN(Cc2ccccc2)CC1

0.180

View
C(NC1=CC=CC=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.238

View
C(NCCCN(C)C1=CC=CC=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.232

View
C(NCCCN(CC)C1=CC=CC=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.224

View
C(NC1=CC=CC=C1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.221

View
C(NCCN(C)C)(=O)C1C2C(=CC=CC=2)N=CC=1

0.218

View
C(NCCCN(C)C1=CC=CC=C1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.216

View
C(NCCN(CC)CC)(=O)C1C2C(=CC=CC=2)N=CC=1

0.211

View
C(NC1C=CC=C(C)C=1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.207

View
C(NCCN1CCN(C2=CC=CC=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.206

View
C(NCC)(=O)C1C2C(=CC=CC=2)N=CC=1

0.205

View
C(NCCN1CCN(C2=CC=CC=C2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.196

View
N(CC1C2C(=CC=CC=2)N=CC=1)CC(NC1=CC=CC=C1)=O

0.194

View
C(NCC(N(C)C)=O)(=O)C1C2C(=CC=CC=2)N=CC=1

0.193

View
C(NC1C=CC2=C(C=CC=C2)C=1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.186

View
C(NC1CN(C2=CC=CC=C2)C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.184

View
C(NCC1C=CC=C(N(C)C)C=1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.182

View
C(NCC1=CC=C(N(C)C)C=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.179

View
C(NC1=CC=C(C)C=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.174

View
C(N(C)CC(N(C1=CC=CC=C1)C)=O)(=O)C1C2C(=CC=CC=2)N=CC=1

0.173

View
C(NC1=CC=C(C=O)C=C1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.170

View


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