Molecular Properties | |
SMILES: | C=C(C(=O)Nc1cccc(Cl)c1)c1cccnc1 |
MW: | 258.06 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-031a96cc-8
0.596
DAR-DIA-23aa0b97-14
0.525
JOR-UNI-2fc98d0b-7
0.525
WAR-XCH-eb7b662f-7
0.525
JAN-GHE-83b26c96-19
0.525
BEN-DND-61647d40-10
0.500
BEN-DND-61647d40-19
0.485
JAN-GHE-d851b096-2
0.453
CHR-SOS-7098f804-12
0.446
JAN-GHE-d851b096-9
0.439
EDJ-MED-49816e9b-1
0.429
JAG-UCB-cedd89ab-8
0.414
TRY-UNI-714a760b-12
0.414
JAN-GHE-d851b096-4
0.407
BEN-DND-61647d40-15
0.395
EDG-MED-0da5ad92-2
0.391
DAR-DIA-23aa0b97-13
0.391
JAN-GHE-d851b096-3
0.384
ADA-UNI-f8e79267-11
0.380
DAR-DIA-23aa0b97-12
0.372
BEN-DND-61647d40-16
0.372
MAK-UNK-6ca90168-24
0.370
MIC-UNK-66895286-2
0.366
MAR-TRE-4f781e27-2
0.362
TRY-UNI-714a760b-9
0.360
SEA-TRI-5a552082-1
0.359
WAR-XCH-eb7b662f-3
0.358
ADA-UNI-f8e79267-8
0.357
MIC-UNK-66895286-3
0.356
SEA-TRI-2dd971ce-1
0.354
DAR-DIA-23aa0b97-15
0.353
CHR-SOS-7098f804-21
0.352
AAR-UNI-c25c2f1e-46
0.347
JOH-UNI-c7afdb96-5
0.347
SEA-TRI-6388eba6-1
0.346
ADA-UNI-f8e79267-12
0.346
JOR-UNI-2fc98d0b-8
0.346
KEI-TRE-d5e2018a-19
0.346
JOR-UNI-2fc98d0b-2
0.346
DAR-DIA-bd041b9b-19
0.344
MAK-UNK-ca11b4f7-2
0.344
MAK-UNK-ca11b4f7-3
0.344
JAG-UCB-ef2c0e8e-10
0.342
MIC-UNK-66895286-4
0.342
MIC-UNK-66895286-5
0.342
JAG-UCB-cedd89ab-7
0.342
SAD-SAT-1b030f84-3
0.342
MAK-UNK-ca11b4f7-1
0.339
PET-UNK-8922bd3c-1
0.338
JAN-LUN-3e0f9c09-1
0.338
JAN-LUN-8953ce76-6
0.338
ADA-UNI-f8e79267-10
0.337
MAR-TRE-3e4e6814-83
0.333
DAR-DIA-bd041b9b-29
0.333
JAG-UCB-252a2f58-1
0.333
KEI-TRE-d5e2018a-16
0.333
WAR-XCH-eb7b662f-4
0.333
JOR-UNI-2fc98d0b-17
0.330
JOR-UNI-2fc98d0b-3
0.330
BEN-DND-61647d40-11
0.329
WAR-XCH-eb7b662f-5
0.329
CHR-SOS-7098f804-11
0.329
WAR-XCH-eb7b662f-6
0.329
ERI-UCB-ce40166b-23
0.326
JOR-UNI-2fc98d0b-6
0.322
ADA-UNI-f8e79267-7
0.322
NAU-LAT-4ce8bf23-3
0.322
JOR-UNI-2fc98d0b-16
0.322
JAN-GHE-d851b096-8
0.322
JAG-UCB-cedd89ab-6
0.321
DAR-DIA-23aa0b97-16
0.319
JOR-UNI-2fc98d0b-12
0.318
MAR-TRE-04c86cea-65
0.318
RAL-MED-2de63afb-4
0.317
TRY-UNI-9f475305-11
0.316
EDG-MED-0da5ad92-5
0.316
ALP-POS-f13221e1-4
0.316
DAR-DIA-23aa0b97-4
0.316
WAR-XCH-eb7b662f-2
0.316
WIL-UNI-5578df48-21
0.315
JOR-UNI-2fc98d0b-4
0.315
JOR-UNI-2fc98d0b-5
0.315
JOR-UNI-2fc98d0b-1
0.315
JOR-UNI-2fc98d0b-11
0.315
MAK-UNK-a7b37c5e-4
0.314
CHR-SOS-7098f804-8
0.313
WIL-UNI-1faa9b10-8
0.313
JIN-POS-6dc588a4-1
0.312
BEN-DND-02317c5c-11
0.312
BEN-DND-61647d40-13
0.312
WAR-XCH-eb7b662f-1
0.311
DAR-DIA-23aa0b97-5
0.311
JOR-UNI-61e7b1d5-2
0.311
ANN-UNI-26382800-4
0.311
MAR-TRE-2fd8122f-88
0.310
BEN-DND-61647d40-12
0.309
BEN-DND-02317c5c-12
0.309
MAT-POS-3b92565d-14
0.309
MAT-POS-bfb445d4-1
0.309
JAN-GHE-83b26c96-10
0.309