Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1c2cc(Cl)ccc2OC2CC21 |
MW: | 350.08 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-34
0.679
DAR-DIA-0d514e7d-35
0.679
MAT-POS-8a69d52e-4
0.611
BRU-THA-01b12488-1
0.611
MAT-POS-8a69d52e-6
0.611
MAT-POS-8a69d52e-7
0.611
ADA-UCB-dc2b944c-14
0.611
ADA-UCB-dc2b944c-13
0.611
MAT-POS-8a69d52e-5
0.611
EDJ-MED-e4b030d8-11
0.611
ALF-EVA-5b152d2f-6
0.609
BEN-BAS-5c03e89e-1
0.598
MAK-UNK-8be7dca9-3
0.591
EDJ-MED-e4b030d8-2
0.587
ALP-POS-d3acb8cc-4
0.587
ALP-POS-d3acb8cc-1
0.587
EDJ-MED-e4b030d8-3
0.587
MAT-POS-8a69d52e-1
0.587
MAT-POS-8a69d52e-2
0.587
ALP-POS-d3acb8cc-2
0.587
ALP-POS-d3acb8cc-3
0.587
MAT-POS-8a69d52e-3
0.587
MAK-UNK-8be7dca9-10
0.581
EDJ-MED-e4b030d8-6
0.573
MAT-POS-bbbbc21a-2
0.562
MAT-POS-f7918075-2
0.562
EDJ-MED-12c115cc-1
0.562
EDJ-MED-12c115cc-2
0.562
MAT-POS-b3e365b9-1
0.554
MAT-POS-f7918075-1
0.554
MAT-POS-b3e365b9-2
0.554
VLA-UCB-1dbca3b4-15
0.554
DAR-DIA-0d514e7d-3
0.543
ADA-UCB-dc2b944c-15
0.543
ADA-UCB-dc2b944c-16
0.543
MAT-POS-2e8b2191-2
0.543
MAT-POS-2e8b2191-3
0.543
PET-UNK-c0891748-12
0.543
PET-UNK-c0891748-6
0.543
DAR-DIA-0d514e7d-36
0.538
MAR-UCB-6ab2ec87-2
0.533
VLA-UCB-1dbca3b4-16
0.532
PET-UNK-c0891748-4
0.526
PET-UNK-c0891748-10
0.526
RAL-THA-c9f97604-1
0.526
ALF-EVA-5b152d2f-1
0.521
RAL-THA-c9f97604-2
0.520
MAT-POS-777f5926-1
0.510
MAT-POS-22e8b45a-4
0.510
VLA-UNK-f49ebb87-1
0.505
MAT-POS-43c25e9b-1
0.500
MIC-UNK-45817b9b-1
0.500
MAT-POS-43c25e9b-2
0.500
LUO-POS-ba0d8665-1
0.500
EDJ-MED-a6bd50ad-1
0.500
DAR-DIA-70d163b2-3
0.500
VLA-UNK-61877630-1
0.495
RAL-THA-4aa06b95-4
0.495
DAR-DIA-0f2f46c9-12
0.495
ROB-UNI-322e8f70-1
0.495
BEN-BAS-c2bc0d80-2
0.495
DAR-DIA-0f2f46c9-11
0.490
DAR-DIA-0f2f46c9-10
0.490
LUO-POS-868e8996-13
0.490
LUO-POS-868e8996-14
0.490
ALP-UNI-c3ef0aba-2
0.490
MIC-UNK-91acba05-3
0.490
BEN-DND-f2e727cd-4
0.490
RAL-THA-05e671eb-3
0.490
MAT-POS-8e4737f4-2
0.490
MAT-POS-66a736cf-1
0.490
EDJ-MED-e4b030d8-12
0.490
DAR-DIA-0f2f46c9-5
0.485
DAR-DIA-0f2f46c9-6
0.485
BEN-BAS-5c03e89e-2
0.485
DAR-DIA-0f2f46c9-4
0.485
MIC-UNK-91acba05-1
0.485
ROB-UNI-322e8f70-3
0.485
MAT-POS-865c3497-1
0.485
MAT-POS-22e8b45a-1
0.485
MAT-POS-865c3497-2
0.485
MAR-UCB-6ab2ec87-1
0.484
BEN-BAS-c2bc0d80-1
0.484
PET-UNK-022eab87-1
0.484
EDJ-MED-0047eae5-2
0.481
MIC-UNK-89b52b17-5
0.481
DAR-DIA-0f2f46c9-2
0.480
DAR-DIA-0f2f46c9-3
0.480
DAR-DIA-0f2f46c9-1
0.480
ALP-POS-ce760d3f-1
0.480
EDG-MED-5d232de5-5
0.480
EDJ-MED-eb111c00-1
0.480
MIC-UNK-91acba05-2
0.480
RAL-THA-8416115c-2
0.480
MIC-UNK-91acba05-6
0.480
MAT-POS-fb82b63d-3
0.480
EDG-MED-5d232de5-6
0.480
DAR-DIA-0f2f46c9-13
0.476
DAR-DIA-0f2f46c9-14
0.476
PET-UNK-f860268d-5
0.475