Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccc(OCCCN3CCCC3)cc12 |
| MW: | 423.17 |
| Fraction sp3: | 0.33 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 8 |
| TPSA: | 54.46 |
| cLogP: | 4.93 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-POS-90fd5f68-32
0.851
MAT-POS-90fd5f68-16
0.745
MAT-POS-90fd5f68-33
0.717
MAT-POS-90fd5f68-31
0.685
MAT-POS-90fd5f68-23
0.652
MAT-POS-90fd5f68-14
0.636
EDJ-MED-00c1612e-1
0.629
PET-UNK-8df914d1-1
0.629
PET-UNK-7fb4f80a-2
0.596
MAT-POS-90fd5f68-24
0.596
MAT-POS-90fd5f68-37
0.548
MAT-POS-90fd5f68-19
0.543
MAT-POS-90fd5f68-40
0.538
RUB-POS-1325a9ea-4
0.538
MAT-POS-90fd5f68-39
0.526
MAT-POS-90fd5f68-22
0.521
PET-UNK-d899bab6-1
0.521
MAT-POS-90fd5f68-25
0.521
MAT-POS-90fd5f68-15
0.519
MAT-POS-90fd5f68-20
0.515
MAT-POS-90fd5f68-29
0.515
MAT-POS-90fd5f68-36
0.510
MAT-POS-90fd5f68-21
0.505
MAT-POS-90fd5f68-35
0.505
MAT-POS-90fd5f68-27
0.505
MAT-POS-90fd5f68-26
0.500
ADA-UCB-6c2cb422-1
0.500
MAT-POS-f7918075-5
0.500
PET-UNK-b38839dc-2
0.500
MAT-POS-90fd5f68-30
0.500
MAT-POS-90fd5f68-13
0.500
MAT-POS-c20a539d-7
0.490
MAT-POS-90fd5f68-28
0.490
PET-UNK-f4e47ebd-1
0.485
MAT-POS-c20a539d-2
0.485
MAT-POS-bb423b95-8
0.484
MAT-POS-bb423b95-1
0.479
MAK-UNK-ffc90da7-6
0.477
MAT-POS-c20a539d-1
0.475
MAT-POS-90fd5f68-5
0.471
PET-UNK-d899bab6-3
0.470
MAT-POS-90fd5f68-38
0.469
MAT-POS-29385cc1-2
0.465
MAT-POS-90fd5f68-6
0.465
JIN-POS-6dc588a4-11
0.464
MIC-UNK-50cce87d-2
0.463
EDJ-MED-6ab52e52-1
0.463
PET-UNK-b38839dc-1
0.461
MAT-POS-29385cc1-1
0.461
PET-UNK-f4e47ebd-2
0.455
EDJ-MED-c5ca5386-1
0.454
PET-UNK-7fb4f80a-1
0.452
PET-UNK-d899bab6-2
0.451
MAT-POS-90fd5f68-1
0.450
MAT-POS-bb423b95-9
0.448
MAT-POS-c20a539d-3
0.447
MAT-POS-90fd5f68-4
0.446
MAT-POS-29385cc1-3
0.444
MAT-POS-c20a539d-6
0.444
PET-UNK-7fb4f80a-3
0.443
JIN-POS-6dc588a4-22
0.443
MAT-POS-90fd5f68-41
0.441
MAT-POS-29385cc1-4
0.440
PET-UNK-7fb4f80a-4
0.439
PET-UNK-c6bcc80b-7
0.438
MAT-POS-90fd5f68-18
0.438
MAT-POS-90fd5f68-2
0.437
RUB-POS-1325a9ea-15
0.434
MIC-UNK-7574fcc6-1
0.434
MAT-POS-90fd5f68-3
0.433
MAT-POS-c20a539d-5
0.431
PET-UNK-6314f867-2
0.431
MAT-POS-c0609ef7-1
0.431
MAT-POS-c20a539d-4
0.431
MAT-POS-90fd5f68-7
0.431
RUB-POS-1325a9ea-13
0.429
PET-UNK-e274cad4-6
0.429
EDJ-MED-a364e151-3
0.429
MAT-POS-90fd5f68-12
0.429
MAT-POS-90fd5f68-11
0.427
PET-UNK-b1ef24dc-3
0.424
PET-UNK-b1ef24dc-4
0.424
MAK-UNK-ffc90da7-8
0.423
ERI-UCB-b3e6b0c2-9
0.422
MAT-POS-90fd5f68-8
0.421
MAT-POS-f7918075-3
0.420
MIC-UNK-08cd9c58-1
0.420
MIC-UNK-9dc9fcd1-1
0.419
MAT-POS-c20a539d-8
0.419
MAT-POS-90fd5f68-9
0.419
MAT-POS-90fd5f68-17
0.419
EDJ-MED-c5ca5386-2
0.417
JIN-POS-6dc588a4-18
0.416
RUB-POS-1325a9ea-14
0.416
PET-UNK-e274cad4-1
0.416
MIC-UNK-9dc9fcd1-5
0.414
PET-UNK-7f7e354d-7
0.414
JIN-POS-6dc588a4-13
0.414
JAN-GHE-5a013bed-10
0.413
MAT-POS-90fd5f68-10
0.411