Molecular Properties | |
SMILES: | CC1(C)COc2ccc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 366.11 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-dc2b944c-15
1.000
DAR-DIA-0d514e7d-36
0.671
EDJ-MED-e4b030d8-11
0.618
MAT-POS-8a69d52e-4
0.618
MAT-POS-8a69d52e-5
0.618
ADA-UCB-dc2b944c-14
0.618
ADA-UCB-dc2b944c-13
0.618
BRU-THA-01b12488-1
0.618
MAT-POS-8a69d52e-6
0.618
MAT-POS-8a69d52e-7
0.618
MAT-POS-f7918075-2
0.605
EDJ-MED-12c115cc-2
0.605
MAT-POS-bbbbc21a-2
0.605
EDJ-MED-12c115cc-1
0.605
ALF-EVA-5b152d2f-6
0.598
DAR-DIA-0d514e7d-34
0.591
DAR-DIA-0d514e7d-35
0.591
BEN-BAS-5c03e89e-1
0.587
MAT-POS-2e8b2191-2
0.582
ADA-UCB-dc2b944c-16
0.582
MAT-POS-b3e365b9-1
0.578
VLA-UCB-1dbca3b4-15
0.578
MAT-POS-f7918075-1
0.578
MAT-POS-b3e365b9-2
0.578
VLA-UCB-1dbca3b4-16
0.571
MAK-UNK-8be7dca9-3
0.564
EDJ-MED-e4b030d8-6
0.562
ALF-EVA-5b152d2f-1
0.559
MAT-POS-2e8b2191-3
0.548
DAR-DIA-0d514e7d-33
0.543
EDJ-MED-e4b030d8-3
0.543
ALP-POS-d3acb8cc-4
0.543
EDJ-MED-e4b030d8-2
0.543
ALP-POS-d3acb8cc-1
0.543
MAT-POS-8a69d52e-1
0.543
MAT-POS-8a69d52e-2
0.543
ALP-POS-d3acb8cc-2
0.543
ALP-POS-d3acb8cc-3
0.543
MAT-POS-8a69d52e-3
0.543
PET-UNK-c0891748-10
0.532
PET-UNK-c0891748-12
0.532
PET-UNK-c0891748-4
0.532
PET-UNK-c0891748-6
0.532
MAT-POS-fb82b63d-1
0.527
BEN-DND-a7517465-4
0.521
EDJ-MED-e4b030d8-13
0.521
MAT-POS-8e4737f4-1
0.521
DAR-DIA-6a508060-10
0.521
MAK-UNK-8be7dca9-10
0.521
RAL-THA-c9f97604-1
0.515
MAT-POS-66a736cf-1
0.511
BEN-DND-f2e727cd-4
0.511
RAL-THA-05e671eb-3
0.511
LUO-POS-868e8996-14
0.511
LUO-POS-868e8996-13
0.511
ALP-UNI-c3ef0aba-2
0.511
EDJ-MED-e4b030d8-12
0.511
MAT-POS-8e4737f4-2
0.511
MIC-UNK-91acba05-3
0.511
MAR-UCB-6ab2ec87-2
0.505
PET-UNK-022eab87-1
0.505
DAR-DIA-0d514e7d-30
0.505
MAT-POS-2e8b2191-1
0.505
MAT-POS-fb82b63d-3
0.500
BEN-BAS-c2bc0d80-2
0.500
RAL-THA-c9f97604-2
0.495
MAT-POS-2e8b2191-4
0.495
MAR-UCB-6ab2ec87-6
0.495
MAT-POS-78e1d523-1
0.495
VLA-UNK-f49ebb87-1
0.495
MIC-UNK-91acba05-4
0.495
ALP-POS-477dc5b7-1
0.495
EDJ-MED-036ae2e9-2
0.490
DAR-DIA-0d514e7d-8
0.490
DAR-DIA-0d514e7d-11
0.490
ALP-POS-a577c8a2-2
0.490
EDJ-MED-b774e9fe-1
0.490
EDJ-MED-2791eece-2
0.490
MIC-UNK-45817b9b-1
0.490
MAT-POS-43c25e9b-1
0.490
MAR-UCB-6ab2ec87-7
0.490
EDJ-MED-a6bd50ad-1
0.490
EDJ-MED-e4b030d8-1
0.490
MAT-POS-43c25e9b-2
0.490
VLA-UCB-1dbca3b4-14
0.490
MAR-UCB-6ab2ec87-1
0.489
DAR-DIA-70d163b2-3
0.489
BEN-BAS-c2bc0d80-1
0.489
MAT-POS-2e8b2191-7
0.485
RAL-THA-4aa06b95-4
0.485
DAR-DIA-0d514e7d-29
0.485
MAT-POS-24589f88-2
0.485
EDJ-MED-2791eece-6
0.485
EDJ-MED-b774e9fe-2
0.485
MAT-POS-dd3ad2b5-4
0.485
EDJ-MED-036ae2e9-1
0.485
DAR-DIA-0d514e7d-28
0.485
MAT-POS-24589f88-3
0.485
DAR-DIA-0f2f46c9-12
0.485
EDG-MED-5d232de5-6
0.485