Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2occc12 |
MW: | 286.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 55.13 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b38839dc-29
PET-UNK-b38839dc-25
PET-UNK-b38839dc-23
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-16
PET-UNK-b38839dc-14
PET-UNK-b38839dc-12
PET-UNK-b38839dc-11
PET-UNK-b38839dc-10
PET-UNK-b38839dc-9
PET-UNK-b38839dc-8
PET-UNK-b38839dc-7
PET-UNK-b38839dc-6
PET-UNK-b38839dc-4
PET-UNK-b38839dc-2
PET-UNK-b38839dc-18
PET-UNK-b38839dc-28
PET-UNK-b38839dc-27
PET-UNK-b38839dc-26
PET-UNK-b38839dc-15
PET-UNK-b38839dc-20
PET-UNK-b38839dc-17
PET-UNK-b38839dc-5
PET-UNK-b38839dc-1
PET-UNK-b38839dc-30
PET-UNK-b38839dc-24
PET-UNK-b38839dc-19
PET-UNK-b38839dc-3
PET-UNK-b38839dc-13
PET-UNK-7279c968-5
PET-UNK-7279c968-1
PET-UNK-7279c968-4
PET-UNK-7279c968-9
PET-UNK-7279c968-3
PET-UNK-7279c968-8
PET-UNK-7279c968-6
PET-UNK-7279c968-2
PET-UNK-7279c968-7
PET-UNK-f9b7ae87-7
PET-UNK-f9b7ae87-8
PET-UNK-f9b7ae87-4
PET-UNK-f9b7ae87-5
PET-UNK-f9b7ae87-3
PET-UNK-f9b7ae87-2
PET-UNK-f9b7ae87-9
PET-UNK-f9b7ae87-6
PET-UNK-f9b7ae87-1
PET-UNK-19e211a9-10
PET-UNK-19e211a9-9
PET-UNK-19e211a9-7
PET-UNK-19e211a9-6
PET-UNK-19e211a9-4
PET-UNK-19e211a9-2
PET-UNK-19e211a9-1
PET-UNK-19e211a9-5
PET-UNK-19e211a9-3
PET-UNK-19e211a9-8
PET-UNK-81b485b5-27
PET-UNK-81b485b5-25
PET-UNK-81b485b5-24
PET-UNK-81b485b5-23
PET-UNK-81b485b5-22
PET-UNK-81b485b5-19
PET-UNK-81b485b5-18
PET-UNK-81b485b5-13
PET-UNK-81b485b5-11
PET-UNK-81b485b5-10
PET-UNK-81b485b5-7
PET-UNK-81b485b5-6
PET-UNK-81b485b5-3
PET-UNK-81b485b5-2
PET-UNK-81b485b5-1
PET-UNK-81b485b5-26
PET-UNK-81b485b5-17
PET-UNK-81b485b5-16
PET-UNK-81b485b5-15
PET-UNK-81b485b5-14
PET-UNK-81b485b5-12
PET-UNK-81b485b5-9
PET-UNK-81b485b5-5
PET-UNK-81b485b5-21
PET-UNK-81b485b5-8
PET-UNK-81b485b5-20
PET-UNK-81b485b5-4
PET-UNK-81b485b5-28
PET-UNK-b1ef24dc-3
0.625
ADA-UCB-6c2cb422-1
0.562
JIN-POS-6dc588a4-12
0.560
MAT-POS-bb423b95-1
0.554
MAT-POS-bb423b95-9
0.554
JIN-POS-6dc588a4-13
0.547
RUB-POS-1325a9ea-13
0.547
JIN-POS-6dc588a4-22
0.547
EDJ-MED-a364e151-3
0.547
JIN-POS-6dc588a4-18
0.545
MAT-POS-90fd5f68-40
0.545
MAT-POS-bb423b95-8
0.539
MAT-POS-f7918075-5
0.539
RUB-POS-1325a9ea-5
0.539
PET-UNK-b1ef24dc-4
0.539
JAN-GHE-5a013bed-10
0.536
MIC-UNK-08cd9c58-1
0.532
MAT-POS-f7918075-3
0.532
JIN-POS-6dc588a4-11
0.532
RUB-POS-1325a9ea-15
0.532
PET-UNK-8df914d1-1
0.532
EDJ-MED-00c1612e-1
0.532
SAM-UNK-2684b532-13
0.529
ALP-POS-95b75b4d-8
0.529
PET-UNK-b1ef24dc-1
0.526
MAT-POS-29385cc1-3
0.526
MAT-POS-c20a539d-6
0.526
RUB-POS-1325a9ea-4
0.526
MAT-POS-c0609ef7-1
0.525
MAT-POS-c20a539d-1
0.525
ALP-POS-95b75b4d-6
0.521
MAT-POS-90fd5f68-37
0.519
MAT-POS-c20a539d-2
0.519
MAT-POS-90fd5f68-38
0.519
MAT-POS-90fd5f68-20
0.519
PET-UNK-8df914d1-3
0.514
MAT-POS-90fd5f68-19
0.512
MAT-POS-90fd5f68-1
0.512
MAT-POS-90fd5f68-2
0.512
PET-UNK-d899bab6-2
0.512
MIC-UNK-fbef42b7-2
0.512
MAT-POS-c20a539d-4
0.506
MAT-POS-c20a539d-5
0.506
PET-UNK-6314f867-2
0.506
PET-UNK-d899bab6-1
0.506
MAT-POS-90fd5f68-25
0.506
MAT-POS-90fd5f68-4
0.506
MAT-POS-90fd5f68-7
0.506
MAT-POS-90fd5f68-22
0.506
MAT-POS-90fd5f68-35
0.506
MAT-POS-c20a539d-8
0.506
MAT-POS-90fd5f68-17
0.506
MAT-POS-c20a539d-3
0.506
JIN-POS-6dc588a4-10
0.500
TRY-UNI-714a760b-3
0.500
PET-UNK-d899bab6-3
0.500
RUB-POS-1325a9ea-11
0.500
PET-UNK-f4e47ebd-2
0.500
PET-UNK-f4e47ebd-1
0.500
PET-UNK-b38839dc-2
0.500
MAT-POS-90fd5f68-41
0.500
MIC-UNK-fbef42b7-1
0.500
MAT-POS-90fd5f68-11
0.500
MAT-POS-90fd5f68-29
0.500
PET-UNK-c6bcc80b-7
0.494
MAT-POS-90fd5f68-39
0.494
MAT-POS-29385cc1-2
0.494
MAT-POS-90fd5f68-6
0.494
EDJ-MED-a364e151-2
0.494
EDJ-MED-6ab52e52-1
0.494
MIC-UNK-50cce87d-2
0.494
TRY-UNI-714a760b-6
0.493
MIC-UNK-9dc9fcd1-1
0.488
MAT-POS-90fd5f68-27
0.488
MAT-POS-29385cc1-1
0.488
PET-UNK-b38839dc-1
0.488
MAT-POS-90fd5f68-9
0.488
MAT-POS-90fd5f68-21
0.488
MAT-POS-90fd5f68-3
0.488
PET-UNK-b1ef24dc-2
0.487
RUB-POS-1325a9ea-12
0.487
ABI-SAT-4d06482b-2
0.486
MAT-POS-90fd5f68-24
0.482
PET-UNK-7fb4f80a-2
0.482
MAT-POS-90fd5f68-12
0.482
MAT-POS-90fd5f68-30
0.482
MAT-POS-199e2e7c-1
0.481
MAT-POS-bb423b95-2
0.481
JIN-POS-6dc588a4-14
0.481
JOH-UNI-6fede743-1
0.481
VLA-UCB-00f2c2b3-7
0.481
ANN-UNI-98d2bf15-3
0.480
JOH-UNI-abfda500-4
0.480
JOH-UNI-abfda500-5
0.480
MAT-POS-90fd5f68-18
0.477
PET-UNK-7fb4f80a-1
0.477
MAT-POS-90fd5f68-10
0.477
MAT-POS-90fd5f68-36
0.477
EDJ-MED-a364e151-1
0.475
JIN-POS-6dc588a4-23
0.475