Molecular Properties | |
SMILES: | O=c1[nH]cc(-c2cccc(Cl)c2)c(=O)n1-c1cccnc1 |
MW: | 299.05 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 67.75 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-5eca9d1d-1
0.573
PET-UNK-94460c07-5
0.556
PET-UNK-94460c07-6
0.519
PET-UNK-e8933450-1
0.494
PET-UNK-4dc48bbe-5
0.380
PET-UNK-94460c07-3
0.369
PET-UNK-4dc48bbe-2
0.358
PET-UNK-4dc48bbe-7
0.354
RAI-NOV-c18e0037-3
0.352
PET-UNK-94460c07-4
0.344
PET-UNK-4dc48bbe-1
0.341
JAN-GHE-83b26c96-18
0.338
MAT-POS-67c9d7d9-1
0.333
MAR-TRE-74c6519b-18
0.321
ADA-UCB-6c2cb422-5
0.319
MAK-UNK-9e4a73aa-35
0.319
PET-UNK-7a31b064-5
0.315
MAK-UNK-9e4a73aa-10
0.314
PET-UNK-94460c07-1
0.312
MAK-UNK-9e4a73aa-18
0.310
NIM-UNI-534877e5-3
0.309
NIM-UNI-534877e5-2
0.308
PET-UNK-7a31b064-6
0.308
PET-UNK-4dc48bbe-9
0.305
ERI-UCB-ce40166b-22
0.303
MAK-UNK-9e4a73aa-36
0.301
NIM-UNI-7f77122c-1
0.300
PET-UNK-94460c07-2
0.293
MAK-UNK-9e4a73aa-27
0.292
MAK-UNK-9e4a73aa-23
0.292
RAI-NOV-c18e0037-2
0.292
MAK-UNK-9e4a73aa-25
0.292
MAK-UNK-9e4a73aa-24
0.292
MAK-UNK-9e4a73aa-26
0.292
MAK-UNK-9e4a73aa-22
0.292
MAK-UNK-9e4a73aa-19
0.292
VLA-UNK-792b5d03-1
0.292
PET-UNK-e8933450-2
0.289
MAK-UNK-9e4a73aa-12
0.289
ERI-UCB-ce40166b-24
0.289
EDJ-MED-e66f2cc5-2
0.287
DAR-DIA-5d6f1b43-1
0.287
MAK-UNK-9e4a73aa-17
0.287
MAK-UNK-9e4a73aa-7
0.286
NIM-UNI-0ea3b7bf-5
0.286
MAK-UNK-9e4a73aa-21
0.286
MAK-UNK-9e4a73aa-33
0.284
RAI-NOV-c18e0037-7
0.284
MAK-UNK-9e4a73aa-20
0.283
MAK-UNK-9e4a73aa-34
0.283
NIM-UNI-7f77122c-3
0.282
MAK-UNK-9e4a73aa-32
0.281
JAN-GHE-83b26c96-19
0.278
JOR-UNI-2fc98d0b-7
0.278
WAR-XCH-eb7b662f-7
0.278
DAR-DIA-23aa0b97-14
0.278
RAI-NOV-c18e0037-5
0.277
DAR-DIA-fc970077-1
0.276
JAG-UCB-cedd89ab-1
0.276
VLA-UNK-792b5d03-3
0.276
CHR-SOS-7098f804-12
0.275
NIM-UNI-0ea3b7bf-1
0.275
DAR-DIA-5d6f1b43-33
0.274
NIM-UNI-36e12f95-3
0.273
MAK-UNK-9e4a73aa-11
0.273
MAK-UNK-9e4a73aa-8
0.272
VLA-UNK-792b5d03-2
0.271
RAI-NOV-c18e0037-4
0.271
NIM-UNI-36e12f95-5
0.270
NIM-UNI-0ea3b7bf-3
0.269
NIM-UNI-0ea3b7bf-4
0.269
EDG-MED-0da5ad92-2
0.268
PET-UNK-5eca9d1d-3
0.267
RAI-NOV-c18e0037-1
0.267
VLA-UCB-00f2c2b3-5
0.267
SAD-SAT-135344c3-8
0.265
MED-COV-4280ac29-3
0.265
DAR-DIA-53551c05-3
0.263
HAO-BIO-c9aafde3-11
0.261
NIM-UNI-534877e5-1
0.261
MAR-TRE-04c86cea-13
0.259
DAR-DIA-fc970077-12
0.259
VLA-UNK-792b5d03-4
0.258
ADA-UNI-f8e79267-12
0.258
SAD-SAT-7d5528d9-47
0.258
JAN-GHE-d851b096-2
0.258
MAR-TRE-d0525fbf-84
0.257
DAR-DIA-fc970077-5
0.256
MAR-TRE-74c6519b-26
0.256
DAR-DIA-0f7b7cd9-7
0.255
SAD-SAT-7d5528d9-36
0.255
MAR-TRE-b77b7921-33
0.255
DAR-DIA-5d6f1b43-14
0.255
DAR-DIA-5d6f1b43-21
0.255
DAR-DIA-5d6f1b43-17
0.255
BEN-DND-61647d40-19
0.253
JAN-GHE-83b26c96-24
0.253
EDJ-MED-49816e9b-6
0.253
RAI-NOV-c18e0037-6
0.253
ADA-UCB-6c2cb422-6
0.253