Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1c2cc(Cl)ccc2[C@@H]2OC[C@H]1O2 |
MW: | 366.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 60.45 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acetal
VLA-UCB-1dbca3b4-15
RAL-THA-c9f97604-1
0.641
BEN-BAS-5c03e89e-1
0.531
BEN-BAS-c2bc0d80-2
0.526
MAT-POS-8a69d52e-4
0.526
ADA-UCB-dc2b944c-14
0.526
MAT-POS-8a69d52e-6
0.526
BRU-THA-01b12488-1
0.526
ADA-UCB-dc2b944c-13
0.526
MAT-POS-8a69d52e-7
0.526
MAT-POS-8a69d52e-5
0.526
EDJ-MED-e4b030d8-11
0.526
DAR-DIA-0d514e7d-33
0.520
DAR-DIA-0d514e7d-35
0.516
DAR-DIA-0d514e7d-34
0.516
MAT-POS-bbbbc21a-2
0.511
MAT-POS-f7918075-2
0.511
EDJ-MED-12c115cc-1
0.511
EDJ-MED-12c115cc-2
0.511
MAT-POS-777f5926-1
0.510
MAT-POS-22e8b45a-4
0.510
MAK-UNK-8be7dca9-3
0.510
MAR-UCB-6ab2ec87-2
0.500
EDJ-MED-e4b030d8-6
0.495
ALF-EVA-5b152d2f-6
0.495
PET-UNK-c0891748-6
0.495
ADA-UCB-dc2b944c-15
0.495
DAR-DIA-0d514e7d-3
0.495
PET-UNK-c0891748-12
0.495
ROB-UNI-322e8f70-1
0.495
ALP-POS-d3acb8cc-1
0.490
EDJ-MED-e4b030d8-3
0.490
ALP-POS-d3acb8cc-4
0.490
EDJ-MED-e4b030d8-2
0.490
ALP-POS-d3acb8cc-2
0.490
ALP-POS-d3acb8cc-3
0.490
MAT-POS-8a69d52e-3
0.490
MAT-POS-8a69d52e-1
0.490
MAT-POS-8a69d52e-2
0.490
DAR-DIA-70d163b2-2
0.490
BEN-DND-f2e727cd-4
0.490
ALP-UNI-c3ef0aba-2
0.490
VLA-UNK-f49ebb87-1
0.490
BEN-BAS-5c03e89e-2
0.485
MAT-POS-865c3497-1
0.485
EDJ-MED-a6bd50ad-1
0.485
MAT-POS-43c25e9b-1
0.485
VLA-UCB-1dbca3b4-16
0.485
MAT-POS-22e8b45a-1
0.485
MIC-UNK-91acba05-1
0.485
MIC-UNK-45817b9b-1
0.485
MAT-POS-43c25e9b-2
0.485
ROB-UNI-322e8f70-3
0.485
MAT-POS-865c3497-2
0.485
DAR-DIA-70d163b2-3
0.485
BEN-BAS-c2bc0d80-1
0.485
PET-UNK-022eab87-1
0.485
DAR-DIA-0d514e7d-9
0.481
PET-UNK-c0891748-4
0.480
PET-UNK-c0891748-10
0.480
MAT-POS-af1eef35-3
0.480
EDJ-MED-e18764cb-2
0.480
BEN-DND-d6f8d3c6-1
0.480
EDJ-MED-eb111c00-1
0.480
ADA-UCB-dc2b944c-16
0.480
MIC-UNK-91acba05-2
0.480
MAT-POS-2e8b2191-3
0.480
ALP-POS-a577c8a2-1
0.480
MAT-POS-2e8b2191-2
0.480
LUO-POS-868e8996-13
0.475
LUO-POS-868e8996-14
0.475
MAT-POS-78e1d523-1
0.475
DAR-DIA-0d514e7d-36
0.475
RAL-THA-05e671eb-3
0.475
VLA-UCB-1dbca3b4-15
0.475
MAT-POS-b3e365b9-1
0.475
MAT-POS-b3e365b9-2
0.475
ALP-POS-477dc5b7-1
0.475
MIC-UNK-91acba05-3
0.475
MAT-POS-66a736cf-1
0.475
MAT-POS-fb82b63d-1
0.475
MIC-UNK-91acba05-4
0.475
MAT-POS-f7918075-1
0.475
MAR-UCB-6ab2ec87-6
0.475
EDJ-MED-0047eae5-1
0.471
EDJ-MED-036ae2e9-2
0.471
ALP-POS-a577c8a2-2
0.471
MAK-UNK-8be7dca9-10
0.471
MAR-UCB-6ab2ec87-7
0.470
MAR-UCB-6ab2ec87-1
0.469
EDJ-MED-036ae2e9-9
0.467
EDJ-MED-487c5e9f-9
0.467
DAR-DIA-0d514e7d-13
0.467
EDJ-MED-2791eece-8
0.467
EDJ-MED-b774e9fe-3
0.467
EDJ-MED-2791eece-6
0.466
EDJ-MED-b774e9fe-2
0.466
ROB-UNI-322e8f70-2
0.465
MAT-POS-fb82b63d-3
0.465
PET-UNK-d61f3ea6-2
0.462
PET-UNK-f860268d-2
0.462