Molecular Properties | |
SMILES: | CC(CSC1CCOC1C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 454.15 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 51.22 |
cLogP: | 6.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-c0609ef7-1
0.600
MAK-UNK-ffc90da7-3
0.547
MAT-POS-90fd5f68-41
0.545
MAT-POS-c20a539d-4
0.535
MAT-POS-90fd5f68-17
0.535
MAT-POS-c20a539d-6
0.520
MAT-POS-29385cc1-3
0.520
MAT-POS-c20a539d-8
0.520
MAT-POS-90fd5f68-8
0.519
MAK-UNK-ffc90da7-8
0.519
MAT-POS-bb423b95-8
0.515
MAT-POS-90fd5f68-38
0.515
MAT-POS-90fd5f68-12
0.515
JOH-ILL-b8b12274-1
0.511
JIN-POS-6dc588a4-11
0.510
MAT-POS-90fd5f68-1
0.510
MAT-POS-90fd5f68-2
0.510
MAT-POS-c20a539d-1
0.505
MAT-POS-90fd5f68-4
0.505
MAT-POS-90fd5f68-7
0.505
MAT-POS-90fd5f68-3
0.505
MIC-UNK-9dc9fcd1-1
0.505
MAT-POS-90fd5f68-9
0.505
MAK-UNK-ffc90da7-5
0.505
MIC-UNK-4fbd4db9-4
0.500
MAT-POS-90fd5f68-11
0.500
MIC-UNK-fbef42b7-2
0.495
PET-UNK-7fb4f80a-1
0.495
MAT-POS-90fd5f68-10
0.495
MAT-POS-90fd5f68-18
0.495
MAT-POS-90fd5f68-6
0.495
MIC-UNK-4fbd4db9-2
0.491
MIC-UNK-4fbd4db9-6
0.491
MIC-UNK-4fbd4db9-5
0.491
MIC-UNK-9dc9fcd1-2
0.491
PET-UNK-6314f867-2
0.490
MAT-POS-c20a539d-5
0.490
MIC-UNK-9dc9fcd1-4
0.486
MIC-UNK-fbef42b7-1
0.486
MAT-POS-90fd5f68-5
0.486
MIC-UNK-4fbd4db9-1
0.477
MIC-UNK-4fbd4db9-3
0.477
MIC-UNK-9dc9fcd1-3
0.473
MAT-POS-90fd5f68-13
0.473
ADA-UCB-6c2cb422-1
0.469
MIC-UNK-9dc9fcd1-5
0.468
MAT-POS-bb423b95-1
0.465
MAT-POS-90fd5f68-15
0.464
PET-UNK-b38839dc-2
0.457
MAT-POS-c20a539d-2
0.456
MAT-POS-f7918075-5
0.455
PET-UNK-c6bcc80b-7
0.454
MAT-POS-29385cc1-2
0.453
MAK-UNK-ffc90da7-6
0.452
MAT-POS-90fd5f68-35
0.449
MAT-POS-c20a539d-3
0.449
MAT-POS-90fd5f68-14
0.448
PET-UNK-7fb4f80a-3
0.445
PET-UNK-f4e47ebd-2
0.443
MAT-POS-90fd5f68-16
0.441
PET-UNK-d899bab6-2
0.439
PET-UNK-b38839dc-1
0.435
MAT-POS-29385cc1-1
0.435
MAT-POS-90fd5f68-40
0.433
RUB-POS-1325a9ea-4
0.433
MAT-POS-90fd5f68-26
0.432
MAT-POS-90fd5f68-30
0.431
PET-UNK-d899bab6-3
0.430
PET-UNK-7fb4f80a-4
0.429
MAT-POS-90fd5f68-39
0.426
MAT-POS-90fd5f68-19
0.425
EDJ-MED-00c1612e-1
0.425
PET-UNK-8df914d1-1
0.425
MAT-POS-c20a539d-7
0.423
MAT-POS-90fd5f68-27
0.422
MAT-POS-90fd5f68-25
0.421
MAT-POS-90fd5f68-22
0.421
PET-UNK-d899bab6-1
0.421
PET-UNK-7fb4f80a-2
0.418
MAT-POS-90fd5f68-20
0.417
MAT-POS-90fd5f68-29
0.417
PET-UNK-f4e47ebd-1
0.417
MAT-POS-90fd5f68-37
0.415
MAT-POS-90fd5f68-36
0.414
PET-UNK-b1ef24dc-3
0.413
MAT-POS-90fd5f68-28
0.411
EDJ-MED-239d8ca5-2
0.409
MAT-POS-90fd5f68-21
0.409
EDJ-MED-239d8ca5-1
0.407
JIN-POS-6dc588a4-18
0.406
PET-UNK-8df914d1-3
0.404
EDJ-MED-a364e151-3
0.404
PET-UNK-7f7e354d-7
0.404
MIC-UNK-f2576da4-1
0.402
PET-UNK-b1ef24dc-4
0.400
RUB-POS-1325a9ea-5
0.400
JIN-POS-6dc588a4-12
0.400
MAT-POS-90fd5f68-23
0.398
RUB-POS-1325a9ea-15
0.396
MAT-POS-8feb6e35-1
0.394