Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 397.16 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 8 |
| TPSA: | 54.46 |
| cLogP: | 4.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-POS-90fd5f68-13
0.852
MAT-POS-90fd5f68-33
0.727
MAT-POS-90fd5f68-16
0.717
MAT-POS-90fd5f68-5
0.709
MAT-POS-90fd5f68-14
0.696
MAT-POS-c20a539d-1
0.687
MAT-POS-90fd5f68-6
0.671
PET-UNK-7fb4f80a-1
0.648
MAT-POS-90fd5f68-31
0.620
MAT-POS-90fd5f68-7
0.609
MAT-POS-bb423b95-8
0.607
MAT-POS-90fd5f68-3
0.607
JIN-POS-6dc588a4-11
0.600
MAT-POS-29385cc1-3
0.593
MAT-POS-c20a539d-6
0.593
MAT-POS-90fd5f68-38
0.586
MAT-POS-90fd5f68-41
0.584
MAT-POS-90fd5f68-1
0.580
MAT-POS-90fd5f68-2
0.578
MAT-POS-90fd5f68-18
0.576
MAT-POS-90fd5f68-10
0.576
MAT-POS-90fd5f68-4
0.573
MAT-POS-c20a539d-4
0.573
MAT-POS-c0609ef7-1
0.573
MAT-POS-90fd5f68-9
0.571
MAT-POS-c20a539d-2
0.568
MAT-POS-90fd5f68-11
0.567
MAT-POS-c20a539d-5
0.556
PET-UNK-6314f867-2
0.556
MAT-POS-90fd5f68-17
0.554
MAT-POS-c20a539d-8
0.554
MAT-POS-90fd5f68-8
0.553
MAK-UNK-ffc90da7-8
0.551
PET-UNK-b38839dc-2
0.549
PET-UNK-d899bab6-3
0.549
MAT-POS-90fd5f68-12
0.548
MIC-UNK-9dc9fcd1-3
0.546
PET-UNK-d899bab6-2
0.543
MAT-POS-29385cc1-2
0.543
MIC-UNK-9dc9fcd1-5
0.541
PET-UNK-b38839dc-1
0.538
MAT-POS-29385cc1-1
0.538
MIC-UNK-9dc9fcd1-1
0.538
ADA-UCB-6c2cb422-1
0.535
PET-UNK-f4e47ebd-2
0.533
MAT-POS-bb423b95-1
0.529
PET-UNK-8df914d1-1
0.527
EDJ-MED-00c1612e-1
0.527
MIC-UNK-fbef42b7-2
0.526
MIC-UNK-9dc9fcd1-2
0.521
MAT-POS-90fd5f68-23
0.521
MIC-UNK-4fbd4db9-5
0.520
MAK-UNK-ffc90da7-3
0.520
MAK-UNK-ffc90da7-5
0.520
MAT-POS-90fd5f68-34
0.519
MIC-UNK-fbef42b7-1
0.515
PET-UNK-7fb4f80a-3
0.515
MIC-UNK-9dc9fcd1-4
0.515
PET-UNK-7fb4f80a-4
0.510
MAT-POS-90fd5f68-25
0.505
PET-UNK-d899bab6-1
0.505
MAT-POS-c20a539d-3
0.505
MIC-UNK-4fbd4db9-1
0.505
MIC-UNK-4fbd4db9-6
0.505
MAT-POS-90fd5f68-32
0.505
PET-UNK-7fb4f80a-2
0.500
MAT-POS-90fd5f68-24
0.500
PET-UNK-f4e47ebd-1
0.500
PET-UNK-c6bcc80b-7
0.495
MIC-UNK-4fbd4db9-2
0.490
MIC-UNK-4fbd4db9-3
0.490
MAT-POS-90fd5f68-21
0.490
RUB-POS-1325a9ea-4
0.489
MIC-UNK-4fbd4db9-4
0.486
MAT-POS-f7918075-5
0.484
MAT-POS-90fd5f68-36
0.480
MAT-POS-90fd5f68-39
0.479
MAT-POS-90fd5f68-28
0.475
MAT-POS-90fd5f68-22
0.474
MAT-POS-90fd5f68-40
0.473
JIN-POS-6dc588a4-18
0.473
MAT-POS-90fd5f68-20
0.469
MAT-POS-90fd5f68-37
0.468
MAK-UNK-ffc90da7-9
0.464
ALF-EVA-0b412456-7
0.464
MAT-POS-90fd5f68-19
0.463
RUB-POS-1325a9ea-15
0.462
MAT-POS-bb423b95-9
0.462
MAT-POS-90fd5f68-27
0.459
MAT-POS-90fd5f68-35
0.459
MIC-UNK-50cce87d-4
0.457
RUB-POS-1325a9ea-9
0.457
JIN-POS-6dc588a4-13
0.457
JIN-POS-6dc588a4-22
0.457
RUB-POS-1325a9ea-13
0.457
MAT-POS-90fd5f68-30
0.455
MAT-POS-90fd5f68-29
0.454
PET-UNK-b1ef24dc-4
0.452
JOH-UNI-6fede743-1
0.452
RUB-POS-1325a9ea-5
0.452