Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccc(C(=O)NC3CC3)cc12 |
| MW: | 379.11 |
| Fraction sp3: | 0.19 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 71.09 |
| cLogP: | 3.96 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-90fd5f68-20
0.766
MAT-POS-90fd5f68-37
0.727
MAT-POS-90fd5f68-8
0.720
MAT-POS-90fd5f68-19
0.696
MAT-POS-90fd5f68-21
0.663
MAT-POS-90fd5f68-40
0.610
RUB-POS-1325a9ea-4
0.610
PET-UNK-d899bab6-1
0.607
MAT-POS-90fd5f68-25
0.607
PET-UNK-8df914d1-1
0.595
EDJ-MED-00c1612e-1
0.595
MAT-POS-90fd5f68-22
0.588
MAT-POS-90fd5f68-29
0.581
MAT-POS-90fd5f68-39
0.575
MAT-POS-90fd5f68-27
0.568
MAT-POS-90fd5f68-35
0.568
ADA-UCB-6c2cb422-1
0.568
MAT-POS-f7918075-5
0.566
MAT-POS-90fd5f68-38
0.565
MAT-POS-90fd5f68-24
0.562
MAT-POS-90fd5f68-30
0.562
PET-UNK-7fb4f80a-2
0.562
MAT-POS-90fd5f68-2
0.557
MAT-POS-90fd5f68-36
0.556
MAT-POS-90fd5f68-23
0.549
MAT-POS-90fd5f68-28
0.549
MAT-POS-c20a539d-7
0.549
MAT-POS-c20a539d-2
0.547
MAT-POS-90fd5f68-1
0.540
MAT-POS-29385cc1-2
0.539
MAT-POS-90fd5f68-31
0.532
PET-UNK-b38839dc-2
0.528
MAT-POS-bb423b95-1
0.524
PET-UNK-c6bcc80b-7
0.522
PET-UNK-b38839dc-1
0.516
MAT-POS-29385cc1-1
0.516
MAT-POS-90fd5f68-3
0.516
MAT-POS-90fd5f68-33
0.515
MAT-POS-90fd5f68-32
0.515
MAT-POS-bb423b95-8
0.512
PET-UNK-d899bab6-3
0.511
PET-UNK-f4e47ebd-1
0.511
JIN-POS-6dc588a4-11
0.506
PET-UNK-d899bab6-2
0.505
MAT-POS-c20a539d-6
0.500
MAT-POS-90fd5f68-34
0.500
MAT-POS-29385cc1-3
0.500
MAT-POS-90fd5f68-7
0.500
MAT-POS-90fd5f68-4
0.500
MAT-POS-c20a539d-3
0.500
MAK-UNK-ffc90da7-5
0.500
MAK-UNK-ffc90da7-6
0.500
PET-UNK-7fb4f80a-3
0.495
PET-UNK-b1ef24dc-4
0.494
PET-UNK-b1ef24dc-3
0.494
PET-UNK-7fb4f80a-4
0.490
PET-UNK-6314f867-2
0.484
MAT-POS-c20a539d-4
0.484
MAT-POS-c0609ef7-1
0.484
MAT-POS-c20a539d-1
0.484
EDJ-MED-239d8ca5-1
0.484
MAT-POS-c20a539d-5
0.484
MAT-POS-90fd5f68-12
0.479
MAT-POS-90fd5f68-11
0.478
MAT-POS-90fd5f68-41
0.478
PET-UNK-f4e47ebd-2
0.478
EDJ-MED-c5ca5386-1
0.477
MAT-POS-90fd5f68-6
0.473
MIC-UNK-7574fcc6-1
0.472
MIC-UNK-51049f1a-6
0.471
MAT-POS-bb423b95-9
0.471
PET-UNK-8df914d1-3
0.470
MAT-POS-90fd5f68-17
0.468
MAT-POS-c20a539d-8
0.468
MIC-UNK-9dc9fcd1-1
0.468
MAT-POS-90fd5f68-9
0.468
JIN-POS-6dc588a4-18
0.467
JIN-POS-6dc588a4-13
0.466
PET-UNK-e274cad4-6
0.466
RUB-POS-1325a9ea-13
0.466
EDJ-MED-a364e151-3
0.466
PET-UNK-7f7e354d-7
0.466
JIN-POS-6dc588a4-22
0.466
MAT-POS-90fd5f68-5
0.464
MAT-POS-29385cc1-4
0.462
JIN-POS-6dc588a4-14
0.461
RUB-POS-1325a9ea-5
0.461
JIN-POS-6dc588a4-12
0.461
MAT-POS-90fd5f68-10
0.458
MAT-POS-90fd5f68-18
0.458
PET-UNK-7fb4f80a-1
0.458
MIC-UNK-08cd9c58-1
0.456
RUB-POS-1325a9ea-15
0.456
MAT-POS-f7918075-3
0.456
MAT-POS-bb423b95-4
0.455
ALP-POS-95b75b4d-5
0.455
MIC-UNK-50cce87d-2
0.455
EDJ-MED-6ab52e52-1
0.455
MIC-UNK-9dc9fcd1-2
0.454
EDJ-MED-239d8ca5-2
0.453