Molecular Properties | |
SMILES: | C[C@@H]1Oc2ccc(Cl)cc2[C@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-34
1.000
ADA-UCB-dc2b944c-14
0.687
ADA-UCB-dc2b944c-13
0.687
MAT-POS-8a69d52e-5
0.687
MAT-POS-8a69d52e-7
0.687
EDJ-MED-e4b030d8-11
0.687
MAT-POS-8a69d52e-4
0.687
BRU-THA-01b12488-1
0.687
MAT-POS-8a69d52e-6
0.687
DAR-DIA-0d514e7d-33
0.679
ALF-EVA-5b152d2f-6
0.663
BEN-BAS-5c03e89e-1
0.651
MAK-UNK-8be7dca9-3
0.644
EDJ-MED-e4b030d8-6
0.622
EDJ-MED-e4b030d8-3
0.621
ALP-POS-d3acb8cc-3
0.621
EDJ-MED-e4b030d8-2
0.621
ALP-POS-d3acb8cc-4
0.621
ALP-POS-d3acb8cc-1
0.621
MAT-POS-8a69d52e-1
0.621
MAT-POS-8a69d52e-2
0.621
ALP-POS-d3acb8cc-2
0.621
MAT-POS-8a69d52e-3
0.621
MAT-POS-f7918075-2
0.595
EDJ-MED-12c115cc-1
0.595
EDJ-MED-12c115cc-2
0.595
MAT-POS-bbbbc21a-2
0.595
DAR-DIA-0d514e7d-3
0.591
ADA-UCB-dc2b944c-15
0.591
DAR-DIA-0d514e7d-36
0.586
MAR-UCB-6ab2ec87-2
0.581
VLA-UCB-1dbca3b4-16
0.580
MAK-UNK-8be7dca9-10
0.578
PET-UNK-c0891748-12
0.573
MAT-POS-2e8b2191-3
0.573
MAT-POS-2e8b2191-2
0.573
PET-UNK-c0891748-6
0.573
ADA-UCB-dc2b944c-16
0.573
MAT-POS-b3e365b9-2
0.568
MAT-POS-f7918075-1
0.568
MAT-POS-b3e365b9-1
0.568
VLA-UCB-1dbca3b4-15
0.568
MAT-POS-777f5926-1
0.556
MAT-POS-22e8b45a-4
0.556
PET-UNK-c0891748-4
0.556
PET-UNK-c0891748-10
0.556
ALF-EVA-5b152d2f-1
0.549
RAL-THA-c9f97604-1
0.538
VLA-UNK-f49ebb87-1
0.533
DAR-DIA-0d514e7d-8
0.527
DAR-DIA-0d514e7d-11
0.527
BEN-BAS-5c03e89e-2
0.527
ROB-UNI-322e8f70-1
0.522
BEN-BAS-c2bc0d80-2
0.522
RAL-THA-c9f97604-2
0.516
DAR-DIA-0d514e7d-24
0.510
ROB-UNI-8bf7c232-1
0.505
DAR-DIA-0f2f46c9-12
0.505
RAL-THA-4aa06b95-4
0.505
VLA-UNK-61877630-1
0.505
DAR-DIA-70d163b2-2
0.500
RAL-THA-ee48ba5f-5
0.500
LUO-POS-868e8996-13
0.500
ALP-POS-477dc5b7-1
0.500
MAT-POS-8e4737f4-2
0.500
LUO-POS-868e8996-14
0.500
MAT-POS-66a736cf-1
0.500
EDJ-MED-e4b030d8-12
0.500
BEN-DND-f2e727cd-4
0.500
MIC-UNK-91acba05-4
0.500
MAR-UCB-6ab2ec87-6
0.500
MIC-UNK-91acba05-3
0.500
ALP-UNI-c3ef0aba-2
0.500
DAR-DIA-0d514e7d-1
0.495
DAR-DIA-0d514e7d-2
0.495
DAR-DIA-0f2f46c9-4
0.495
DAR-DIA-0f2f46c9-5
0.495
DAR-DIA-0f2f46c9-6
0.495
MIC-UNK-45817b9b-1
0.495
LUO-POS-ba0d8665-1
0.495
MAT-POS-43c25e9b-1
0.495
EDJ-MED-a6bd50ad-1
0.495
MAR-UCB-6ab2ec87-7
0.495
MAT-POS-43c25e9b-2
0.495
MAR-UCB-6ab2ec87-1
0.495
DAR-DIA-70d163b2-3
0.495
BEN-BAS-c2bc0d80-1
0.495
PET-UNK-022eab87-1
0.495
RAL-THA-ee48ba5f-2
0.490
MIC-UNK-89b52b17-5
0.490
DAR-DIA-0d514e7d-17
0.490
DAR-DIA-0d514e7d-23
0.490
DAR-DIA-0d514e7d-9
0.490
DAR-DIA-0d514e7d-19
0.490
EDG-MED-5d232de5-5
0.489
EDJ-MED-eb111c00-1
0.489
MIC-UNK-91acba05-2
0.489
RAL-THA-8416115c-2
0.489
MIC-UNK-91acba05-6
0.489
MAT-POS-fb82b63d-3
0.489