Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1C |
| MW: | 274.09 |
| Fraction sp3: | 0.2 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
TRY-UNI-714a760b-3
0.705
TRY-UNI-714a760b-6
0.619
JAN-GHE-5a013bed-10
0.597
MIC-UNK-50cce87d-3
0.594
EDG-MED-0da5ad92-16
0.587
ABI-SAT-4d06482b-2
0.585
MIC-UNK-d935700b-1
0.582
EDG-MED-0da5ad92-21
0.562
SAM-UNK-2684b532-13
0.562
ALP-POS-95b75b4d-8
0.562
ALP-POS-95b75b4d-6
0.554
EDG-MED-0da5ad92-17
0.552
ADA-UCB-6c2cb422-1
0.551
MAT-POS-199e2e7c-1
0.549
MIC-UNK-50cce87d-2
0.543
MAT-POS-bb423b95-1
0.543
MAT-POS-bb423b95-5
0.536
EDJ-MED-a364e151-3
0.535
MIC-UNK-50cce87d-4
0.534
EDJ-MED-49816e9b-3
0.530
EDG-MED-0da5ad92-14
0.530
EDG-MED-0da5ad92-12
0.530
JOH-UNI-abfda500-5
0.529
JOH-UNI-abfda500-4
0.529
ANN-UNI-98d2bf15-3
0.529
MAT-POS-bb423b95-8
0.528
MIC-UNK-50cce87d-1
0.528
MAT-POS-bb423b95-2
0.528
MAT-POS-f7918075-5
0.528
MAK-UNK-6ca90168-23
0.522
MAT-POS-bb423b95-9
0.521
EDJ-MED-a364e151-2
0.521
EDJ-MED-a364e151-1
0.521
EDJ-MED-00c1612e-1
0.520
PET-UNK-8df914d1-1
0.520
SAM-UNK-2684b532-11
0.514
SAM-UNK-2684b532-12
0.514
MAT-POS-14ad9fe9-1
0.513
ALP-POS-95b75b4d-7
0.507
MAT-POS-f7918075-3
0.500
ALP-POS-95b75b4d-5
0.500
JOH-UNI-3fc3434e-3
0.500
JOH-UNI-ee5ed7c8-3
0.500
JAN-GHE-5a013bed-6
0.500
JAN-GHE-5a013bed-9
0.500
MIC-UNK-08cd9c58-1
0.500
MAT-POS-bb423b95-4
0.500
MIC-UNK-8971c93c-1
0.500
MAT-POS-f7918075-4
0.500
MAT-POS-f7918075-8
0.500
EDJ-MED-976da9a6-2
0.494
EDJ-MED-976da9a6-1
0.494
MAT-POS-f7918075-7
0.493
ALP-POS-0c2c77e1-1
0.493
MAT-POS-bb423b95-3
0.493
PET-UNK-8df914d1-4
0.493
EDG-MED-0da5ad92-13
0.493
JAG-UCB-a3ef7265-15
0.493
EDJ-MED-49816e9b-2
0.493
JOH-UNI-ee5ed7c8-1
0.487
JOH-UNI-3fc3434e-1
0.487
JOH-UNI-6fede743-1
0.486
MIC-UNK-66895286-1
0.485
JAN-GHE-5a013bed-8
0.485
EDG-MED-0da5ad92-2
0.485
EDJ-MED-c8e7a002-12
0.479
EDG-MED-0da5ad92-15
0.478
EDG-MED-0da5ad92-18
0.471
NAU-LAT-e1818702-7
0.471
JAG-UCB-a3ef7265-17
0.471
JAN-GHE-5a013bed-7
0.470
NAU-LAT-e1818702-10
0.470
MIC-UNK-67d4a29a-3
0.468
MIC-UNK-d935700b-2
0.467
VLA-UCB-00f2c2b3-7
0.466
AGN-NEW-c7b24fe3-4
0.465
AGN-NEW-c7b24fe3-5
0.465
JOH-UNI-ee5ed7c8-2
0.464
JOH-UNI-3fc3434e-2
0.464
EDJ-MED-49816e9b-5
0.464
AGN-NEW-c7b24fe3-1
0.458
EDG-MED-0da5ad92-6
0.457
EDJ-MED-50fe53e8-2
0.453
TRY-UNI-714a760b-19
0.453
MAT-POS-f7918075-6
0.453
ALP-POS-f13221e1-4
0.452
JAN-GHE-83b26c96-15
0.444
EDG-MED-0da5ad92-1
0.444
MAK-UNK-ffc90da7-5
0.443
MAK-UNK-ffc90da7-3
0.443
MAK-UNK-ffc90da7-8
0.443
JAN-GHE-5a013bed-11
0.441
MAT-POS-4211dce8-1
0.440
JAN-GHE-5a013bed-1
0.435
PET-UNK-8df914d1-5
0.432
EDJ-MED-c8e7a002-16
0.429
MAT-POS-199e2e7c-2
0.429
MAK-UNK-ffc90da7-6
0.429
JOH-UNI-6fede743-3
0.427
MAT-POS-bb423b95-6
0.427