Molecular Properties | |
SMILES: | COc1ccccc1-n1cncc1NC(=O)Cc1cccc(Cl)c1 |
MW: | 341.09 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 56.15 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-1e24cf73-2
0.707
BEN-DND-1e24cf73-5
0.684
BEN-DND-1e24cf73-6
0.578
BEN-DND-1e24cf73-1
0.577
PET-UNK-8df914d1-4
0.533
PET-UNK-8df914d1-5
0.476
RUB-POS-1325a9ea-9
0.460
JIN-POS-6dc588a4-18
0.460
MIC-UNK-50cce87d-4
0.460
JIN-POS-6dc588a4-3
0.458
MAT-POS-29385cc1-2
0.451
EDJ-MED-6e43a462-2
0.449
EDJ-MED-6e43a462-3
0.448
PET-UNK-8df914d1-2
0.447
EDJ-MED-6e43a462-1
0.444
EDJ-MED-6e43a462-6
0.437
EDJ-MED-6e43a462-5
0.437
EDJ-MED-6e43a462-13
0.433
EDJ-MED-6e43a462-8
0.432
MAT-POS-29385cc1-1
0.430
PET-UNK-b38839dc-1
0.430
EDJ-MED-6e43a462-12
0.427
EDJ-MED-b24713dc-4
0.427
BEN-DND-1e24cf73-3
0.425
BEN-DND-1e24cf73-7
0.424
JAN-GHE-5a013bed-9
0.423
MAT-POS-c20a539d-2
0.422
EDG-MED-0da5ad92-16
0.420
VLA-UNK-411a133b-1
0.420
EDJ-MED-b24713dc-2
0.419
EDJ-MED-b24713dc-1
0.416
EDJ-MED-b24713dc-3
0.416
EDJ-MED-6e43a462-9
0.414
PET-UNK-b38839dc-2
0.409
VLA-UNK-411a133b-2
0.407
JAN-GHE-5a013bed-6
0.405
EDJ-MED-6e43a462-4
0.404
JAG-UCB-a3ef7265-15
0.402
NAU-LAT-e1818702-7
0.402
EDG-MED-0da5ad92-13
0.402
JAG-UCB-a3ef7265-17
0.402
JIN-POS-6dc588a4-23
0.400
EDJ-MED-6e43a462-10
0.400
MAT-POS-c20a539d-1
0.398
MIC-UNK-67d4a29a-4
0.398
BEN-DND-02317c5c-13
0.398
EDJ-MED-49816e9b-3
0.398
EDG-MED-0da5ad92-12
0.398
EDJ-MED-6e43a462-11
0.396
EDG-MED-0da5ad92-2
0.395
MIC-UNK-66895286-1
0.395
JAN-GHE-5a013bed-8
0.395
EDJ-MED-97c1bf5c-2
0.394
PET-UNK-f4e47ebd-1
0.394
JIN-POS-6dc588a4-6
0.393
EDJ-MED-6e43a462-7
0.393
EDG-MED-0da5ad92-15
0.393
TRY-UNI-714a760b-6
0.393
PET-UNK-8df914d1-3
0.393
JAN-GHE-5a013bed-10
0.390
EDJ-MED-076d6e64-1
0.389
ABI-SAT-4d06482b-2
0.388
PET-UNK-158bee2a-2
0.388
PET-UNK-8df914d1-1
0.387
EDJ-MED-00c1612e-1
0.387
ALP-POS-3b848b35-3
0.386
EDG-MED-0da5ad92-21
0.386
SAM-UNK-2684b532-13
0.386
PET-UNK-158bee2a-3
0.386
ALP-POS-95b75b4d-8
0.386
EDJ-MED-c8e7a002-2
0.385
RUB-POS-1325a9ea-8
0.385
PET-UNK-7fb4f80a-3
0.384
TRY-UNI-714a760b-3
0.384
JIN-POS-6dc588a4-9
0.382
MAT-POS-4211dce8-1
0.382
ALP-POS-95b75b4d-6
0.381
EDJ-MED-49816e9b-5
0.381
RUB-POS-1325a9ea-14
0.380
PET-UNK-e274cad4-1
0.380
JAN-GHE-f4ca5a00-12
0.379
NAU-LAT-e1818702-1
0.379
PET-UNK-f4e47ebd-2
0.379
NAU-LAT-a5c7d7cb-11
0.378
JIN-POS-6dc588a4-13
0.378
MAT-POS-bb423b95-3
0.378
ALP-POS-0c2c77e1-1
0.378
NAU-LAT-e1818702-8
0.378
PET-UNK-e274cad4-6
0.378
EDJ-MED-c8e7a002-6
0.376
MIC-UNK-f2576da4-1
0.376
MAT-POS-bb423b95-5
0.375
RUB-POS-1325a9ea-19
0.375
EDJ-MED-97c1bf5c-1
0.375
EDJ-MED-7bb79bc5-1
0.375
PET-UNK-12d8d43f-2
0.375
RUB-POS-1325a9ea-5
0.374
JIN-POS-6dc588a4-10
0.374
EDJ-MED-239d8ca5-2
0.371
ADA-UCB-6c2cb422-1
0.371