Molecule Details
| Molecular Properties | |
| SMILES: | C=Cc1ncccc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 272.735 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.5592 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-2
0.703
EDG-MED-0da5ad92-14
0.600
AGN-NEW-c7b24fe3-4
0.597
AGN-NEW-c7b24fe3-5
0.574
ALP-POS-95b75b4d-8
0.537
SAM-UNK-2684b532-13
0.537
MAT-POS-bb423b95-2
0.507
TRY-UNI-714a760b-6
0.500
EDG-MED-0da5ad92-17
0.486
ALP-POS-95b75b4d-6
0.486
MAT-POS-f7918075-3
0.481
MIC-UNK-08cd9c58-1
0.481
MAK-UNK-6ca90168-23
0.479
JAN-GHE-5a013bed-10
0.478
ABI-SAT-4d06482b-2
0.472
EDG-MED-0da5ad92-21
0.471
EDJ-MED-49816e9b-2
0.471
EDG-MED-0da5ad92-16
0.471
JIN-POS-6dc588a4-10
0.468
VLA-UCB-00f2c2b3-7
0.467
JOH-UNI-abfda500-4
0.466
TRY-UNI-714a760b-3
0.466
ANN-UNI-98d2bf15-3
0.466
JOH-UNI-abfda500-5
0.466
EDG-MED-0da5ad92-2
0.464
JAN-GHE-5a013bed-8
0.464
RUB-POS-1325a9ea-8
0.462
JIN-POS-6dc588a4-23
0.462
JIN-POS-6dc588a4-2
0.461
ALP-POS-95b75b4d-5
0.461
MAT-POS-bb423b95-4
0.461
RUB-POS-1325a9ea-17
0.461
PET-UNK-8df914d1-3
0.458
JAN-GHE-5a013bed-9
0.456
PET-UNK-158bee2a-2
0.456
PET-UNK-b1ef24dc-1
0.455
SAM-UNK-2684b532-12
0.453
SAM-UNK-2684b532-11
0.453
JIN-POS-6dc588a4-4
0.453
RUB-POS-1325a9ea-19
0.453
JIN-POS-6dc588a4-3
0.453
MAT-POS-bb423b95-5
0.453
EDG-MED-0da5ad92-18
0.452
EDG-MED-0da5ad92-13
0.451
JIN-POS-6dc588a4-24
0.449
JIN-POS-6dc588a4-15
0.449
ALP-POS-95b75b4d-7
0.447
MAT-POS-f7918075-8
0.443
JAN-GHE-5a013bed-11
0.443
PET-UNK-158bee2a-4
0.443
EDJ-MED-c8e7a002-12
0.442
MAT-POS-4211dce8-1
0.442
MAT-POS-bb423b95-1
0.442
MAT-POS-14ad9fe9-1
0.439
EDG-MED-0da5ad92-15
0.438
RUB-POS-1325a9ea-14
0.438
PET-UNK-e274cad4-1
0.438
RUB-POS-1325a9ea-13
0.436
EDJ-MED-c8e7a002-14
0.436
ALP-POS-0c2c77e1-1
0.436
MAT-POS-bb423b95-3
0.436
JIN-POS-6dc588a4-6
0.436
JAN-GHE-5a013bed-6
0.435
MIC-UNK-d935700b-1
0.434
VLA-UNK-411a133b-1
0.431
RUB-POS-1325a9ea-11
0.430
MIC-UNK-50cce87d-1
0.430
JOH-UNI-6fede743-1
0.430
PET-UNK-b1ef24dc-3
0.430
EDJ-MED-6e43a462-4
0.430
MAT-POS-199e2e7c-1
0.430
EDJ-MED-076d6e64-1
0.430
PET-UNK-b1ef24dc-4
0.430
RUB-POS-1325a9ea-2
0.430
EDJ-MED-6e43a462-5
0.430
MAT-POS-f7918075-5
0.430
JIN-POS-6dc588a4-19
0.429
MAT-POS-bb423b95-6
0.429
ADA-UCB-6c2cb422-1
0.429
JOH-UNI-6fede743-3
0.429
NAU-LAT-e1818702-10
0.429
JAN-GHE-5a013bed-7
0.429
RUB-POS-1325a9ea-22
0.427
EDJ-MED-a364e151-1
0.425
EDJ-MED-a364e151-2
0.425
MIC-UNK-50cce87d-2
0.423
MIC-UNK-51049f1a-6
0.423
EDJ-MED-6ab52e52-1
0.423
JIN-POS-6dc588a4-9
0.423
EDJ-MED-50fe53e8-3
0.423
MAT-POS-bb423b95-9
0.423
MIC-UNK-66895286-1
0.423
EDJ-MED-976da9a6-1
0.422
EDJ-MED-c5ca5386-2
0.422
MAT-POS-90fd5f68-40
0.420
MAT-POS-f7918075-7
0.420
RUB-POS-1325a9ea-1
0.420
RUB-POS-1325a9ea-12
0.418
PET-UNK-e274cad4-6
0.418
EDJ-MED-a364e151-3
0.418