Molecular Properties | |
SMILES: | CC(CNCCCO)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
MW: | 411.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 74.25 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
MAT-POS-90fd5f68-35
0.587
MAT-POS-90fd5f68-40
0.573
RUB-POS-1325a9ea-4
0.573
PET-UNK-8df914d1-1
0.560
EDJ-MED-00c1612e-1
0.560
MAT-POS-90fd5f68-39
0.559
MAT-POS-90fd5f68-25
0.554
PET-UNK-d899bab6-1
0.554
MAT-POS-90fd5f68-22
0.554
MAT-POS-90fd5f68-27
0.553
MAT-POS-90fd5f68-37
0.549
MAT-POS-90fd5f68-20
0.548
MAT-POS-90fd5f68-29
0.548
PET-UNK-7fb4f80a-2
0.547
MAT-POS-90fd5f68-30
0.547
MAT-POS-90fd5f68-19
0.543
MAT-POS-90fd5f68-36
0.542
MAT-POS-90fd5f68-21
0.537
MAT-POS-90fd5f68-28
0.536
MAT-POS-c20a539d-7
0.536
MAT-POS-90fd5f68-23
0.536
MAT-POS-f7918075-5
0.533
MAT-POS-90fd5f68-31
0.520
MAT-POS-90fd5f68-33
0.520
ADA-UCB-6c2cb422-1
0.517
MAT-POS-90fd5f68-24
0.515
MAT-POS-c0609ef7-1
0.505
MAT-POS-90fd5f68-26
0.500
MAT-POS-c20a539d-2
0.500
MAT-POS-bb423b95-1
0.495
MAT-POS-90fd5f68-17
0.490
MAT-POS-90fd5f68-4
0.490
PET-UNK-7fb4f80a-3
0.485
PET-UNK-d899bab6-3
0.485
PET-UNK-b38839dc-2
0.485
PET-UNK-f4e47ebd-1
0.485
MAK-UNK-ffc90da7-1
0.481
MAK-UNK-c749d764-6
0.481
PET-UNK-7fb4f80a-4
0.480
PET-UNK-c6bcc80b-7
0.480
PET-UNK-d899bab6-2
0.480
MAT-POS-29385cc1-2
0.480
JIN-POS-6dc588a4-11
0.479
MAT-POS-90fd5f68-34
0.477
MAT-POS-90fd5f68-32
0.477
MAK-UNK-ffc90da7-3
0.476
MIC-UNK-9dc9fcd1-1
0.475
MAT-POS-c20a539d-8
0.475
PET-UNK-b38839dc-1
0.475
MAT-POS-29385cc1-1
0.475
MAT-POS-c20a539d-3
0.475
MAT-POS-c20a539d-6
0.474
MAT-POS-29385cc1-3
0.474
MIC-UNK-9dc9fcd1-4
0.471
MAT-POS-90fd5f68-12
0.470
MAT-POS-90fd5f68-11
0.469
PET-UNK-f4e47ebd-2
0.469
MAT-POS-90fd5f68-41
0.469
MAT-POS-bb423b95-8
0.468
MAT-POS-90fd5f68-18
0.465
MIC-UNK-9dc9fcd1-2
0.461
MAT-POS-90fd5f68-9
0.460
MAT-POS-c20a539d-4
0.459
MAT-POS-c20a539d-5
0.459
MAT-POS-c20a539d-1
0.459
MAT-POS-90fd5f68-7
0.459
PET-UNK-6314f867-2
0.459
JIN-POS-6dc588a4-18
0.458
MIC-UNK-9dc9fcd1-3
0.457
MIC-UNK-f2576da4-1
0.454
MAT-POS-90fd5f68-38
0.454
PET-UNK-b1ef24dc-3
0.453
MAK-UNK-ffc90da7-9
0.452
MIC-UNK-fbef42b7-2
0.452
PET-UNK-7fb4f80a-1
0.451
MAT-POS-90fd5f68-10
0.451
MAT-POS-90fd5f68-2
0.450
MIC-UNK-4fbd4db9-6
0.450
MAT-POS-90fd5f68-1
0.449
MAK-UNK-ffc90da7-8
0.449
MAT-POS-90fd5f68-3
0.446
MIC-UNK-4fbd4db9-4
0.445
EDJ-MED-c5ca5386-2
0.444
MIC-UNK-fbef42b7-1
0.442
PET-UNK-e274cad4-6
0.442
PET-UNK-7f7e354d-7
0.442
JIN-POS-6dc588a4-22
0.442
MIC-UNK-9dc9fcd1-5
0.439
PET-UNK-6314f867-3
0.439
MAT-POS-29385cc1-4
0.439
PET-UNK-b1ef24dc-4
0.438
MIC-UNK-50cce87d-3
0.438
RUB-POS-1325a9ea-3
0.438
JIN-POS-6dc588a4-14
0.438
RUB-POS-1325a9ea-5
0.438
EDJ-MED-c5ca5386-1
0.438
MIC-UNK-4fbd4db9-2
0.436
MAT-POS-90fd5f68-6
0.436
MAT-POS-8feb6e35-2
0.436
MIC-UNK-4fbd4db9-3
0.435