Molecule Details
| Molecular Properties | |
| SMILES: | COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1Cl |
| MW: | 360.04 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.73 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
MAT-POS-c20a539d-2
0.789
MAT-POS-29385cc1-1
0.737
PET-UNK-b38839dc-1
0.737
MAT-POS-29385cc1-2
0.701
EDJ-MED-00c1612e-1
0.641
PET-UNK-8df914d1-1
0.641
MAT-POS-c20a539d-1
0.633
PET-UNK-7fb4f80a-4
0.631
PET-UNK-f4e47ebd-2
0.625
PET-UNK-f4e47ebd-1
0.625
MAT-POS-90fd5f68-41
0.605
PET-UNK-7fb4f80a-3
0.600
MAT-POS-90fd5f68-39
0.598
PET-UNK-d899bab6-2
0.598
MAT-POS-29385cc1-3
0.595
MAT-POS-c20a539d-6
0.595
JIN-POS-6dc588a4-18
0.595
RUB-POS-1325a9ea-4
0.595
MAT-POS-c20a539d-3
0.590
MAT-POS-bb423b95-8
0.590
MAT-POS-90fd5f68-37
0.588
PET-UNK-d899bab6-3
0.585
MAT-POS-90fd5f68-20
0.585
JIN-POS-6dc588a4-11
0.582
MAT-POS-90fd5f68-19
0.580
PET-UNK-c6bcc80b-7
0.576
MIC-UNK-50cce87d-4
0.575
MAT-POS-90fd5f68-40
0.575
RUB-POS-1325a9ea-9
0.575
MAT-POS-90fd5f68-4
0.573
MAT-POS-90fd5f68-25
0.573
MAT-POS-c20a539d-4
0.573
MAT-POS-90fd5f68-7
0.573
PET-UNK-d899bab6-1
0.573
MAT-POS-90fd5f68-22
0.573
MAT-POS-90fd5f68-17
0.571
MAT-POS-90fd5f68-21
0.571
MAT-POS-90fd5f68-35
0.571
ADA-UCB-6c2cb422-1
0.571
MAT-POS-f7918075-5
0.570
MAT-POS-90fd5f68-31
0.568
MAT-POS-90fd5f68-38
0.568
MAT-POS-90fd5f68-33
0.567
PET-UNK-7fb4f80a-2
0.565
MAT-POS-bb423b95-1
0.564
MAT-POS-90fd5f68-1
0.561
MAT-POS-90fd5f68-2
0.560
MAT-POS-90fd5f68-6
0.560
PET-UNK-7fb4f80a-1
0.558
MAT-POS-90fd5f68-18
0.558
MAT-POS-90fd5f68-36
0.558
MAT-POS-c20a539d-5
0.554
PET-UNK-6314f867-2
0.554
MAT-POS-c0609ef7-1
0.554
MAT-POS-90fd5f68-27
0.553
MAT-POS-90fd5f68-3
0.553
MAT-POS-c20a539d-8
0.553
MAT-POS-90fd5f68-9
0.553
MAT-POS-90fd5f68-23
0.552
MAT-POS-90fd5f68-15
0.549
MAT-POS-90fd5f68-29
0.548
MAT-POS-90fd5f68-11
0.548
MAT-POS-90fd5f68-24
0.547
MAT-POS-90fd5f68-12
0.547
MAT-POS-90fd5f68-30
0.547
MAT-POS-90fd5f68-13
0.544
MAT-POS-90fd5f68-10
0.540
JIN-POS-6dc588a4-3
0.538
MIC-UNK-9dc9fcd1-1
0.535
MAT-POS-c20a539d-7
0.534
MAT-POS-90fd5f68-28
0.534
MAK-UNK-ffc90da7-8
0.533
MAT-POS-90fd5f68-5
0.528
MAT-POS-90fd5f68-26
0.528
MIC-UNK-9dc9fcd1-3
0.527
MAT-POS-bb423b95-9
0.525
MIC-UNK-fbef42b7-2
0.522
MIC-UNK-9dc9fcd1-5
0.522
JIN-POS-6dc588a4-13
0.519
RUB-POS-1325a9ea-13
0.519
MIC-UNK-9dc9fcd1-2
0.517
MAT-POS-90fd5f68-8
0.517
MAK-UNK-ffc90da7-3
0.516
MAT-POS-90fd5f68-32
0.516
RUB-POS-1325a9ea-5
0.512
JIN-POS-6dc588a4-12
0.512
EDJ-MED-c5ca5386-1
0.512
MIC-UNK-fbef42b7-1
0.511
MIC-UNK-9dc9fcd1-4
0.511
JAN-GHE-5a013bed-10
0.507
PET-UNK-8df914d1-3
0.506
MIC-UNK-50cce87d-2
0.506
EDJ-MED-6ab52e52-1
0.506
MIC-UNK-51049f1a-6
0.506
MAT-POS-f7918075-3
0.506
MIC-UNK-08cd9c58-1
0.506
JIN-POS-6dc588a4-23
0.506
RUB-POS-1325a9ea-15
0.506
MAK-UNK-ffc90da7-5
0.500
JIN-POS-6dc588a4-22
0.500