Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cc(OCCCN3CCCC3)ccc12 |
| 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-90fd5f68-14
0.841
MAT-POS-90fd5f68-34
0.745
MAT-POS-90fd5f68-15
0.717
MAT-POS-90fd5f68-13
0.677
MAT-POS-90fd5f68-5
0.645
MAT-POS-90fd5f68-32
0.626
MAT-POS-c20a539d-1
0.622
MAT-POS-90fd5f68-6
0.609
PET-UNK-7fb4f80a-1
0.589
MAT-POS-bb423b95-8
0.584
MAT-POS-90fd5f68-38
0.582
JIN-POS-6dc588a4-11
0.560
MAT-POS-90fd5f68-1
0.559
MAT-POS-90fd5f68-2
0.542
MAT-POS-c20a539d-6
0.538
MAT-POS-29385cc1-3
0.538
MAT-POS-90fd5f68-3
0.536
MAT-POS-90fd5f68-8
0.535
MAT-POS-90fd5f68-41
0.531
MAT-POS-c20a539d-5
0.521
MAT-POS-90fd5f68-4
0.521
MAT-POS-90fd5f68-7
0.521
MAT-POS-c0609ef7-1
0.521
PET-UNK-6314f867-2
0.521
MAT-POS-c20a539d-4
0.521
MAT-POS-90fd5f68-9
0.520
MAT-POS-90fd5f68-33
0.519
MAT-POS-90fd5f68-11
0.515
MAT-POS-90fd5f68-18
0.510
MAT-POS-c20a539d-8
0.505
MAT-POS-90fd5f68-17
0.505
MIC-UNK-9dc9fcd1-1
0.505
MAK-UNK-ffc90da7-8
0.505
MAT-POS-90fd5f68-12
0.500
MAT-POS-c20a539d-2
0.500
ADA-UCB-6c2cb422-1
0.500
MAT-POS-90fd5f68-10
0.495
MAT-POS-bb423b95-1
0.495
MAK-UNK-ffc90da7-5
0.491
MAT-POS-90fd5f68-31
0.490
MIC-UNK-9dc9fcd1-2
0.490
MIC-UNK-fbef42b7-1
0.485
PET-UNK-f4e47ebd-2
0.485
PET-UNK-b38839dc-2
0.485
MIC-UNK-9dc9fcd1-5
0.481
MIC-UNK-fbef42b7-2
0.481
EDJ-MED-00c1612e-1
0.480
PET-UNK-8df914d1-1
0.480
MIC-UNK-4fbd4db9-6
0.477
MAK-UNK-ffc90da7-3
0.477
MAT-POS-90fd5f68-23
0.476
MIC-UNK-9dc9fcd1-3
0.472
MIC-UNK-9dc9fcd1-4
0.472
MAT-POS-29385cc1-2
0.465
MIC-UNK-4fbd4db9-2
0.464
MIC-UNK-4fbd4db9-5
0.463
MIC-UNK-4fbd4db9-3
0.463
MIC-UNK-4fbd4db9-1
0.463
MAT-POS-29385cc1-1
0.461
PET-UNK-b38839dc-1
0.461
MIC-UNK-4fbd4db9-4
0.459
MAT-POS-90fd5f68-24
0.456
PET-UNK-7fb4f80a-2
0.456
PET-UNK-d899bab6-3
0.455
PET-UNK-f4e47ebd-1
0.455
MAT-POS-90fd5f68-37
0.455
MAT-POS-f7918075-5
0.454
PET-UNK-d899bab6-2
0.451
MIC-UNK-50cce87d-2
0.448
EDJ-MED-6ab52e52-1
0.448
MAT-POS-c20a539d-3
0.447
MAT-POS-90fd5f68-40
0.444
RUB-POS-1325a9ea-4
0.444
PET-UNK-7fb4f80a-3
0.443
JIN-POS-6dc588a4-22
0.443
MAK-UNK-ffc90da7-9
0.441
ALF-EVA-0b412456-7
0.440
PET-UNK-7fb4f80a-4
0.439
PET-UNK-c6bcc80b-7
0.438
MAT-POS-90fd5f68-39
0.437
MAT-POS-90fd5f68-19
0.436
RUB-POS-1325a9ea-15
0.434
MAT-POS-bb423b95-9
0.433
MAT-POS-90fd5f68-25
0.431
MAT-POS-90fd5f68-22
0.431
PET-UNK-d899bab6-1
0.431
MAT-POS-90fd5f68-26
0.430
RUB-POS-1325a9ea-13
0.429
PET-UNK-e274cad4-6
0.429
EDJ-MED-a364e151-3
0.429
MAT-POS-90fd5f68-29
0.427
MAT-POS-90fd5f68-20
0.427
JIN-POS-6dc588a4-12
0.424
PET-UNK-b1ef24dc-4
0.424
ERI-UCB-b3e6b0c2-17
0.422
MIC-UNK-08cd9c58-1
0.420
MAT-POS-f7918075-3
0.420
MAT-POS-90fd5f68-35
0.419
MAT-POS-90fd5f68-27
0.419
MAT-POS-90fd5f68-21
0.419