Molecule Details
| Molecular Properties | |
| SMILES: | CCS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 388.06 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 76.13 |
| cLogP: | 3.86 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-fbef42b7-2
0.805
MIC-UNK-fbef42b7-1
0.792
MIC-UNK-4fbd4db9-5
0.765
MIC-UNK-4fbd4db9-1
0.765
MAT-POS-90fd5f68-17
0.763
MAT-POS-90fd5f68-11
0.760
MIC-UNK-4fbd4db9-3
0.744
MAT-POS-90fd5f68-18
0.744
MIC-UNK-9dc9fcd1-1
0.740
MIC-UNK-4fbd4db9-2
0.738
MIC-UNK-4fbd4db9-6
0.738
MIC-UNK-4fbd4db9-4
0.729
MIC-UNK-9dc9fcd1-2
0.713
MIC-UNK-9dc9fcd1-4
0.699
MIC-UNK-9dc9fcd1-3
0.699
MIC-UNK-9dc9fcd1-5
0.690
MAT-POS-90fd5f68-12
0.667
MAT-POS-c20a539d-6
0.662
MAT-POS-29385cc1-3
0.662
MAT-POS-90fd5f68-10
0.659
MAT-POS-90fd5f68-7
0.658
MAT-POS-90fd5f68-4
0.658
MAT-POS-bb423b95-8
0.658
MAT-POS-90fd5f68-9
0.654
MAT-POS-90fd5f68-41
0.650
JIN-POS-6dc588a4-11
0.649
PET-UNK-7fb4f80a-1
0.639
MAT-POS-c20a539d-4
0.637
MAT-POS-c20a539d-1
0.637
MAT-POS-90fd5f68-3
0.634
MAT-POS-90fd5f68-38
0.633
MAT-POS-90fd5f68-1
0.625
MAT-POS-90fd5f68-2
0.622
PET-UNK-6314f867-2
0.617
MAT-POS-c0609ef7-1
0.617
MAT-POS-c20a539d-5
0.617
MAT-POS-90fd5f68-6
0.602
ADA-UCB-6c2cb422-1
0.597
MAT-POS-bb423b95-1
0.590
MAT-POS-90fd5f68-13
0.584
PET-UNK-c6bcc80b-7
0.581
MAT-POS-90fd5f68-35
0.576
MAT-POS-90fd5f68-8
0.575
MAT-POS-c20a539d-2
0.573
PET-UNK-d899bab6-3
0.571
MAT-POS-90fd5f68-29
0.571
MAT-POS-90fd5f68-5
0.568
MAT-POS-90fd5f68-36
0.563
MAT-POS-c20a539d-3
0.558
MAT-POS-90fd5f68-28
0.557
MAT-POS-90fd5f68-15
0.554
MAK-UNK-ffc90da7-8
0.554
MAK-UNK-ffc90da7-5
0.554
MAK-UNK-ffc90da7-3
0.554
PET-UNK-b38839dc-2
0.553
PET-UNK-f4e47ebd-2
0.553
PET-UNK-7fb4f80a-3
0.551
PET-UNK-d899bab6-2
0.547
MAT-POS-29385cc1-2
0.547
PET-UNK-7fb4f80a-4
0.544
RUB-POS-1325a9ea-4
0.542
PET-UNK-d899bab6-1
0.541
MAT-POS-90fd5f68-25
0.541
MAT-POS-90fd5f68-27
0.540
PET-UNK-b38839dc-1
0.540
MAT-POS-29385cc1-1
0.540
MAT-POS-c20a539d-7
0.539
MAT-POS-f7918075-5
0.537
PET-UNK-f4e47ebd-1
0.535
MAT-POS-90fd5f68-30
0.534
PET-UNK-7fb4f80a-2
0.534
RUB-POS-1325a9ea-15
0.530
PET-UNK-8df914d1-1
0.529
EDJ-MED-00c1612e-1
0.529
MAT-POS-90fd5f68-39
0.529
MAT-POS-90fd5f68-40
0.524
MAT-POS-90fd5f68-22
0.523
EDJ-MED-c5ca5386-2
0.523
MAK-UNK-ffc90da7-9
0.520
MAT-POS-90fd5f68-37
0.518
MAT-POS-90fd5f68-20
0.517
MAT-POS-90fd5f68-14
0.515
MAT-POS-90fd5f68-19
0.512
MAT-POS-8feb6e35-2
0.511
PET-UNK-7f7e354d-7
0.506
MAT-POS-90fd5f68-21
0.506
MAT-POS-90fd5f68-16
0.505
JIN-POS-6dc588a4-12
0.500
MAT-POS-90fd5f68-24
0.500
RUB-POS-1325a9ea-5
0.500
PET-UNK-b1ef24dc-3
0.500
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-51049f1a-6
0.494
MAT-POS-bb423b95-9
0.494
PET-UNK-8df914d1-3
0.494
MAT-POS-90fd5f68-31
0.489
MAT-POS-8feb6e35-1
0.489
JIN-POS-6dc588a4-18
0.488
JIN-POS-6dc588a4-22
0.488