Molecular Properties | |
SMILES: | O=C1Nc2cncc3cccc(c23)/C=C/CO[C@]12CCOc1ccc(Cl)cc12 |
MW: | 392.09 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 60.45 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
JOH-UNI-df8adf26-2
0.629
JOH-UNI-df8adf26-3
0.614
JOH-UNI-df8adf26-4
0.529
JOH-UNI-df8adf26-5
0.467
MAT-POS-ec6d90b7-2
0.365
MAT-POS-90505e2b-1
0.365
MAT-POS-ec6d90b7-1
0.365
EDJ-MED-e78d5f1a-1
0.365
JOH-UNI-6e27fddc-1
0.359
JOH-UNI-6e27fddc-7
0.359
EDJ-MED-a6bab6fb-1
0.347
DAR-DIA-0f7b7cd9-9
0.342
VLA-UNK-cf7facf1-1
0.333
VLA-UCB-29506327-1
0.333
JOH-UNI-6e27fddc-5
0.333
JOH-UNI-6e27fddc-6
0.333
VLA-UCB-34f3ed0c-11
0.333
NIR-THE-1e03c142-1
0.328
MIK-ENA-fc9ceda2-1
0.328
BEN-BAS-c2bc0d80-3
0.325
EDG-MED-971238d3-9
0.322
JAG-UCB-706446eb-3
0.322
BEN-BAS-c2bc0d80-7
0.322
RAL-THA-58fba2bc-3
0.322
EDG-MED-971238d3-3
0.322
MAT-POS-983b399a-3
0.322
EDJ-MED-159244ea-3
0.322
EDG-MED-90036822-2
0.320
BRU-THA-73c97d88-1
0.319
MAT-POS-9db1e783-1
0.319
EDG-MED-971238d3-1
0.319
MAT-POS-94643566-1
0.317
VLA-UCB-50c39ae8-2
0.317
BEN-BAS-c2bc0d80-6
0.317
DAR-DIA-0f7b7cd9-8
0.317
VLA-UCB-05e51b3f-5
0.317
VLA-UNK-f702bf1c-3
0.316
MAR-UCB-fd2e172f-29
0.314
MAT-POS-2905de8c-1
0.314
MAT-POS-3b97339c-2
0.314
EDG-MED-971238d3-4
0.314
PET-UNK-407a74a5-5
0.314
JAG-UCB-706446eb-2
0.312
EDJ-MED-6864a934-10
0.312
EDJ-MED-28ec730d-2
0.312
RAL-THA-58fba2bc-1
0.311
EDG-MED-971238d3-6
0.311
EDG-MED-971238d3-10
0.311
EDG-MED-90036822-13
0.311
PET-UNK-bcc8fd08-1
0.311
MAT-POS-45b13633-4
0.311
ALP-UNI-76695c4f-10
0.311
KAD-UNI-8a629cb0-31
0.311
EDG-MED-90036822-86
0.311
VLA-UNK-f702bf1c-7
0.311
EDJ-MED-d203f206-20
0.311
VLA-UCB-34f3ed0c-15
0.311
ALP-POS-477dc5b7-3
0.310
EDG-MED-90036822-34
0.310
VLA-UCB-05e51b3f-6
0.309
VLA-UCB-34f3ed0c-12
0.309
VLA-UNK-ba665ac8-1
0.309
VLA-UCB-50c39ae8-3
0.309
EDG-MED-0e5afe9d-3
0.308
PET-UNK-29afea89-2
0.308
EDJ-MED-d08626de-2
0.308
EDJ-MED-159244ea-1
0.308
EDJ-MED-d08626de-1
0.308
MAR-UCB-fd2e172f-25
0.308
MAT-POS-983b399a-1
0.308
ALP-POS-477dc5b7-4
0.308
EDG-MED-90036822-36
0.308
EDG-MED-90036822-50
0.308
EDG-MED-90036822-81
0.308
MAT-POS-2905de8c-3
0.308
MAT-POS-8e4737f4-1
0.308
BEN-DND-a7517465-4
0.308
DAR-DIA-6a508060-10
0.308
EDJ-MED-e4b030d8-13
0.308
EDG-MED-a20b5824-2
0.308
EDG-MED-90036822-47
0.307
EDG-MED-90036822-48
0.307
EDG-MED-90036822-62
0.307
EDG-MED-90036822-29
0.306
EDG-MED-90036822-100
0.306
EDG-MED-90036822-28
0.306
EDG-MED-90036822-63
0.306
EDG-MED-90036822-20
0.306
EDG-MED-90036822-93
0.306
EDJ-MED-6d9ff7d0-7
0.306
PET-UNK-0df12184-3
0.306
PET-UNK-29afea89-1
0.306
EDG-MED-90036822-33
0.305
VLA-UNK-f702bf1c-5
0.304
EDG-MED-971238d3-8
0.304
EDG-MED-971238d3-7
0.304
EDG-MED-4c68219f-10
0.304
VLA-UNK-ba665ac8-2
0.304
PET-UNK-ee8352fa-2
0.304
ALP-POS-5de921e7-2
0.304