Molecular Properties | |
SMILES: | CC1(C)Oc2cc3cncc(NC(=O)Cc4cccc(Cl)c4)c3cc2O1 |
MW: | 368.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-d899bab6-2
0.622
MAT-POS-29385cc1-1
0.614
PET-UNK-b38839dc-1
0.614
MAT-POS-c20a539d-2
0.613
PET-UNK-d899bab6-1
0.598
MAT-POS-90fd5f68-25
0.598
PET-UNK-d899bab6-3
0.590
PET-UNK-b38839dc-2
0.590
MAT-POS-29385cc1-2
0.583
RUB-POS-1325a9ea-4
0.580
MAT-POS-c20a539d-6
0.580
MAT-POS-29385cc1-3
0.580
PET-UNK-7fb4f80a-4
0.580
MAT-POS-90fd5f68-7
0.578
MAT-POS-bb423b95-8
0.575
PET-UNK-f4e47ebd-1
0.571
PET-UNK-f4e47ebd-2
0.571
MAT-POS-bb423b95-1
0.570
JIN-POS-6dc588a4-11
0.568
PET-UNK-8df914d1-1
0.566
EDJ-MED-00c1612e-1
0.566
PET-UNK-c6bcc80b-7
0.563
MAT-POS-90fd5f68-36
0.563
MAT-POS-90fd5f68-40
0.561
MAT-POS-90fd5f68-4
0.560
MAT-POS-c20a539d-1
0.560
MAT-POS-c20a539d-4
0.560
MAT-POS-90fd5f68-22
0.560
MAT-POS-90fd5f68-21
0.558
MAT-POS-c20a539d-8
0.558
MAT-POS-90fd5f68-3
0.558
ADA-UCB-6c2cb422-1
0.557
MAT-POS-f7918075-5
0.556
MAT-POS-90fd5f68-38
0.554
MAT-POS-90fd5f68-37
0.554
MAT-POS-90fd5f68-20
0.553
MAT-POS-90fd5f68-41
0.553
PET-UNK-7fb4f80a-3
0.551
MAT-POS-90fd5f68-1
0.548
MAT-POS-90fd5f68-19
0.548
MAT-POS-90fd5f68-2
0.547
MAT-POS-90fd5f68-39
0.547
MAT-POS-90fd5f68-10
0.545
MAT-POS-90fd5f68-18
0.545
MAT-POS-c20a539d-5
0.541
MAT-POS-c0609ef7-1
0.541
PET-UNK-6314f867-2
0.541
MAT-POS-90fd5f68-35
0.540
MAT-POS-90fd5f68-27
0.540
MAT-POS-90fd5f68-9
0.540
MAT-POS-90fd5f68-17
0.540
MAT-POS-90fd5f68-28
0.539
MAT-POS-90fd5f68-29
0.535
MAT-POS-90fd5f68-11
0.535
MAT-POS-90fd5f68-12
0.534
MAT-POS-90fd5f68-30
0.534
PET-UNK-7fb4f80a-2
0.534
MIC-UNK-fbef42b7-1
0.533
MAT-POS-90fd5f68-6
0.529
PET-UNK-7fb4f80a-1
0.528
MIC-UNK-fbef42b7-2
0.527
MIC-UNK-9dc9fcd1-1
0.523
MAT-POS-90fd5f68-23
0.522
MAT-POS-c20a539d-7
0.522
MAT-POS-90fd5f68-31
0.522
MIC-UNK-4fbd4db9-1
0.521
MIC-UNK-4fbd4db9-5
0.521
MAT-POS-90fd5f68-24
0.517
MAT-POS-90fd5f68-5
0.516
MAT-POS-90fd5f68-13
0.516
MIC-UNK-9dc9fcd1-3
0.516
MIC-UNK-9dc9fcd1-5
0.511
PET-UNK-7f7e354d-7
0.506
JIN-POS-6dc588a4-13
0.506
RUB-POS-1325a9ea-13
0.506
MAT-POS-90fd5f68-8
0.505
MIC-UNK-9dc9fcd1-2
0.505
MAT-POS-90fd5f68-33
0.505
MAK-UNK-ffc90da7-8
0.505
MAT-POS-90fd5f68-15
0.505
MAT-POS-90fd5f68-26
0.500
MIC-UNK-9dc9fcd1-4
0.500
PET-UNK-b1ef24dc-3
0.500
RUB-POS-1325a9ea-5
0.500
JIN-POS-6dc588a4-12
0.500
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
RUB-POS-1325a9ea-15
0.494
MIC-UNK-7574fcc6-1
0.494
MAT-POS-bb423b95-9
0.494
PET-UNK-8df914d1-3
0.494
MIC-UNK-4fbd4db9-2
0.490
MIC-UNK-4fbd4db9-6
0.490
MIC-UNK-4fbd4db9-3
0.490
MAK-UNK-ffc90da7-3
0.490
MAK-UNK-ffc90da7-5
0.490
JIN-POS-6dc588a4-18
0.488
JIN-POS-6dc588a4-22
0.488
PET-UNK-b1ef24dc-1
0.488
PET-UNK-b1ef24dc-2
0.488