Molecule Details
| Molecular Properties | |
| SMILES: | COCc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 340.1 |
| Fraction sp3: | 0.16 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 51.22 |
| cLogP: | 4.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-90fd5f68-39
0.701
MAT-POS-bb423b95-8
0.699
MAT-POS-c20a539d-1
0.697
MAT-POS-29385cc1-3
0.680
MAT-POS-c20a539d-6
0.680
JIN-POS-6dc588a4-11
0.667
MAK-UNK-ffc90da7-8
0.659
MAT-POS-90fd5f68-6
0.658
MAT-POS-c20a539d-4
0.654
MAT-POS-90fd5f68-7
0.654
MAT-POS-90fd5f68-4
0.654
MAT-POS-90fd5f68-17
0.650
MAT-POS-c20a539d-8
0.650
MAT-POS-90fd5f68-38
0.649
MAT-POS-90fd5f68-11
0.646
MAT-POS-90fd5f68-1
0.641
MAT-POS-90fd5f68-2
0.637
PET-UNK-7fb4f80a-1
0.634
MAT-POS-90fd5f68-18
0.634
MAT-POS-c20a539d-5
0.633
MAT-POS-c0609ef7-1
0.633
PET-UNK-6314f867-2
0.633
MAT-POS-90fd5f68-3
0.630
MAT-POS-90fd5f68-9
0.630
MIC-UNK-9dc9fcd1-1
0.630
MAT-POS-c20a539d-2
0.628
MAT-POS-90fd5f68-12
0.622
MAT-POS-90fd5f68-10
0.614
ADA-UCB-6c2cb422-1
0.613
MIC-UNK-fbef42b7-2
0.612
MIC-UNK-9dc9fcd1-2
0.607
MAT-POS-bb423b95-1
0.605
PET-UNK-f4e47ebd-2
0.605
PET-UNK-b38839dc-2
0.605
MIC-UNK-fbef42b7-1
0.600
MAT-POS-90fd5f68-5
0.600
MIC-UNK-9dc9fcd1-3
0.598
MIC-UNK-9dc9fcd1-4
0.598
MAT-POS-90fd5f68-13
0.598
MAT-POS-29385cc1-2
0.598
MIC-UNK-9dc9fcd1-5
0.591
MAT-POS-29385cc1-1
0.590
PET-UNK-b38839dc-1
0.590
MAT-POS-90fd5f68-8
0.588
MAK-UNK-ffc90da7-3
0.584
MIC-UNK-4fbd4db9-5
0.584
MAT-POS-90fd5f68-15
0.584
MIC-UNK-4fbd4db9-1
0.584
MIC-UNK-4fbd4db9-6
0.582
PET-UNK-8df914d1-1
0.580
EDJ-MED-00c1612e-1
0.580
MAK-UNK-ffc90da7-5
0.567
MIC-UNK-4fbd4db9-3
0.567
PET-UNK-f4e47ebd-1
0.566
MIC-UNK-4fbd4db9-2
0.565
PET-UNK-d899bab6-2
0.560
MIC-UNK-4fbd4db9-4
0.559
PET-UNK-c6bcc80b-7
0.558
MAT-POS-90fd5f68-40
0.556
RUB-POS-1325a9ea-4
0.556
MAT-POS-c20a539d-3
0.553
MAT-POS-f7918075-5
0.550
PET-UNK-d899bab6-3
0.548
MAK-UNK-ffc90da7-9
0.545
PET-UNK-7fb4f80a-3
0.545
MAT-POS-90fd5f68-14
0.543
PET-UNK-7fb4f80a-4
0.539
JIN-POS-6dc588a4-18
0.537
RUB-POS-1325a9ea-9
0.537
MIC-UNK-50cce87d-4
0.537
MAT-POS-90fd5f68-22
0.536
PET-UNK-d899bab6-1
0.536
MAT-POS-90fd5f68-25
0.536
MAT-POS-90fd5f68-35
0.535
MAT-POS-90fd5f68-16
0.531
MAT-POS-90fd5f68-37
0.530
MAT-POS-90fd5f68-20
0.529
MAT-POS-90fd5f68-29
0.529
PET-UNK-7fb4f80a-2
0.529
MIC-UNK-51049f1a-6
0.525
MAT-POS-90fd5f68-19
0.524
MAT-POS-90fd5f68-36
0.523
PET-UNK-e274cad4-6
0.519
MAT-POS-90fd5f68-27
0.517
MAT-POS-90fd5f68-21
0.517
PET-UNK-b1ef24dc-3
0.512
RUB-POS-1325a9ea-3
0.512
JIN-POS-6dc588a4-12
0.512
MIC-UNK-50cce87d-3
0.512
RUB-POS-1325a9ea-5
0.512
MAT-POS-29385cc1-4
0.512
MAT-POS-90fd5f68-30
0.511
MAT-POS-90fd5f68-24
0.511
JAN-GHE-5a013bed-10
0.507
PET-UNK-8df914d1-3
0.506
MAT-POS-bb423b95-9
0.506
MIC-UNK-50cce87d-2
0.506
EDJ-MED-6ab52e52-1
0.506
MAT-POS-f7918075-3
0.506
MIC-UNK-08cd9c58-1
0.506