Molecule Details
| Molecular Properties | |
| SMILES: | CC(CO)(NC1CC1)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 409.16 |
| Fraction sp3: | 0.3 |
| HBA: | 4 |
| HBD: | 3 |
| Rotatable Bonds: | 7 |
| TPSA: | 74.25 |
| cLogP: | 4.03 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-c20a539d-4
0.707
MAT-POS-90fd5f68-8
0.640
MAT-POS-90fd5f68-38
0.605
MAT-POS-90fd5f68-2
0.596
MAT-POS-c20a539d-6
0.593
MAT-POS-29385cc1-3
0.593
MAT-POS-bb423b95-8
0.588
JIN-POS-6dc588a4-11
0.581
MAT-POS-90fd5f68-1
0.580
MAT-POS-90fd5f68-4
0.573
MAT-POS-c20a539d-1
0.573
MAT-POS-90fd5f68-7
0.573
MAT-POS-90fd5f68-3
0.571
MAT-POS-90fd5f68-41
0.567
MAT-POS-90fd5f68-11
0.567
MAT-POS-90fd5f68-12
0.565
MAT-POS-90fd5f68-6
0.560
MAT-POS-c0609ef7-1
0.556
MAT-POS-c20a539d-5
0.556
PET-UNK-6314f867-2
0.556
MAT-POS-c20a539d-8
0.554
MAT-POS-90fd5f68-9
0.554
MIC-UNK-9dc9fcd1-1
0.554
MAT-POS-90fd5f68-17
0.554
MAT-POS-90fd5f68-5
0.547
MAT-POS-90fd5f68-10
0.543
MAT-POS-90fd5f68-18
0.543
PET-UNK-7fb4f80a-1
0.543
ADA-UCB-6c2cb422-1
0.535
MAT-POS-90fd5f68-13
0.531
MAT-POS-bb423b95-1
0.529
MIC-UNK-fbef42b7-2
0.526
MIC-UNK-9dc9fcd1-2
0.521
MAT-POS-90fd5f68-15
0.520
MIC-UNK-4fbd4db9-2
0.520
MIC-UNK-4fbd4db9-6
0.520
MAT-POS-c20a539d-2
0.516
MIC-UNK-fbef42b7-1
0.515
MIC-UNK-9dc9fcd1-3
0.515
MIC-UNK-9dc9fcd1-4
0.515
MIC-UNK-4fbd4db9-4
0.515
PET-UNK-c6bcc80b-7
0.510
MIC-UNK-9dc9fcd1-5
0.510
RUB-POS-1325a9ea-4
0.505
MIC-UNK-4fbd4db9-1
0.505
MIC-UNK-4fbd4db9-5
0.505
MAK-UNK-ffc90da7-8
0.505
MAK-UNK-ffc90da7-3
0.505
MAK-UNK-ffc90da7-9
0.505
PET-UNK-f4e47ebd-2
0.500
MAT-POS-90fd5f68-26
0.500
PET-UNK-b38839dc-2
0.500
MAT-POS-90fd5f68-14
0.500
PET-UNK-d899bab6-2
0.495
MAT-POS-29385cc1-2
0.495
MAT-POS-90fd5f68-16
0.491
MIC-UNK-4fbd4db9-3
0.490
PET-UNK-b38839dc-1
0.490
MAT-POS-29385cc1-1
0.490
MAT-POS-c20a539d-3
0.490
MAT-POS-90fd5f68-40
0.489
PET-UNK-d899bab6-3
0.484
MAT-POS-90fd5f68-37
0.484
MAT-POS-f7918075-5
0.484
PET-UNK-8df914d1-1
0.479
EDJ-MED-00c1612e-1
0.479
EDJ-MED-239d8ca5-2
0.474
MAT-POS-90fd5f68-22
0.474
PET-UNK-d899bab6-1
0.474
EDJ-MED-239d8ca5-1
0.474
MAT-POS-90fd5f68-25
0.474
PET-UNK-7fb4f80a-3
0.470
MAT-POS-90fd5f68-30
0.469
MAT-POS-90fd5f68-20
0.469
MAT-POS-90fd5f68-29
0.469
PET-UNK-f4e47ebd-1
0.469
PET-UNK-b1ef24dc-3
0.467
PET-UNK-7fb4f80a-4
0.465
MAT-POS-90fd5f68-39
0.464
MAT-POS-90fd5f68-19
0.463
MAT-POS-f7918075-3
0.462
MIC-UNK-08cd9c58-1
0.462
MIC-UNK-51049f1a-6
0.462
MAT-POS-90fd5f68-27
0.459
MAT-POS-90fd5f68-21
0.459
MAT-POS-90fd5f68-35
0.459
RUB-POS-1325a9ea-13
0.457
PET-UNK-7f7e354d-7
0.457
EDJ-MED-a364e151-3
0.457
PET-UNK-b1ef24dc-2
0.457
MAT-POS-90fd5f68-24
0.455
PET-UNK-7fb4f80a-2
0.455
RUB-POS-1325a9ea-5
0.452
PET-UNK-b1ef24dc-4
0.452
JIN-POS-6dc588a4-12
0.452
MAT-POS-90fd5f68-36
0.450
TRY-UNI-714a760b-3
0.449
RUB-POS-1325a9ea-15
0.447
MAT-POS-bb423b95-9
0.446
MAT-POS-90fd5f68-23
0.446