Molecular Properties | |
SMILES: | Cc1cncc2c1/C=C\CCO[C@]1(CCOc3ccc(Cl)cc31)C(=O)N2 |
MW: | 370.11 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 60.45 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
JOH-UNI-df8adf26-2
0.495
JOH-UNI-df8adf26-4
0.490
JOH-UNI-df8adf26-3
0.486
JOH-UNI-df8adf26-1
0.467
EDG-MED-a20b5824-2
0.352
MAT-POS-90505e2b-1
0.351
MAT-POS-ec6d90b7-1
0.351
MAT-POS-ec6d90b7-2
0.351
ALP-POS-5de921e7-1
0.318
EDG-MED-10fcb19e-4
0.311
ALP-POS-5de921e7-2
0.311
EDG-MED-21720aac-2
0.305
DAR-DIA-0f7b7cd9-9
0.304
EDG-MED-10fcb19e-3
0.303
EDG-MED-21720aac-11
0.303
ALP-POS-e6e0c683-1
0.302
EDG-MED-21720aac-1
0.301
ALP-POS-5de921e7-4
0.300
JOH-UNI-6e27fddc-7
0.299
EDJ-MED-d2def222-1
0.299
MAR-UCB-fd2e172f-29
0.299
ALP-UNI-76695c4f-10
0.298
KAD-UNI-8a629cb0-31
0.298
MAT-POS-78e1d523-2
0.298
EDG-MED-21720aac-12
0.297
VLA-UNK-cf7facf1-1
0.296
MAR-UCB-fd2e172f-37
0.296
VLA-UCB-34f3ed0c-11
0.296
VLA-UCB-29506327-1
0.296
EDJ-MED-d7486dd1-1
0.295
ALP-POS-93b3621f-2
0.294
ALP-POS-e6e0c683-2
0.293
EDJ-MED-6bf93aa8-1
0.293
MAT-POS-2905de8c-3
0.292
MAT-POS-94643566-1
0.291
PET-UNK-0df12184-3
0.291
VLA-UCB-05e51b3f-5
0.291
NIR-THE-1e03c142-1
0.291
DAR-DIA-5a24bef0-3
0.291
VLA-UCB-50c39ae8-2
0.291
BEN-BAS-c2bc0d80-6
0.291
EDG-MED-21720aac-6
0.290
EDG-MED-21720aac-9
0.290
MIK-ENA-fc9ceda2-1
0.289
MAT-POS-f9802937-6
0.289
MAT-POS-5d65ec79-2
0.289
MAT-POS-f9802937-5
0.289
EDG-MED-21720aac-3
0.289
JOH-UNI-6e27fddc-1
0.288
BEN-BAS-c2bc0d80-3
0.288
VLA-UCB-53bdeed6-5
0.287
EDG-MED-971238d3-11
0.287
MAT-POS-45b13633-5
0.287
EDJ-MED-d203f206-20
0.287
BEN-BAS-c2bc0d80-7
0.286
MAT-POS-45b13633-4
0.286
ADA-UCB-b1b30a00-4
0.286
MIC-UNK-7f86385f-2
0.286
EDG-MED-21720aac-5
0.286
RAL-THA-58fba2bc-1
0.286
ALP-POS-5de921e7-6
0.286
MAR-UCB-fd2e172f-35
0.286
EDG-MED-971238d3-10
0.286
EDJ-MED-d203f206-23
0.285
EDG-MED-90036822-86
0.284
MAR-UCB-fd2e172f-41
0.284
PET-UNK-b38839dc-18
0.284
PET-UNK-0df12184-2
0.284
EDG-MED-21720aac-7
0.284
EDG-MED-21720aac-10
0.284
VLA-UNK-ba665ac8-1
0.283
MAR-UCB-fd2e172f-26
0.283
PET-UNK-ee8352fa-1
0.283
ALP-POS-5de921e7-5
0.283
EDG-MED-21720aac-8
0.283
EDG-MED-90036822-62
0.282
BRU-THA-73c97d88-1
0.282
PET-UNK-0df12184-4
0.282
MAR-UCB-fd2e172f-22
0.282
PET-UNK-b38839dc-20
0.281
MAT-POS-9db1e783-1
0.281
DAR-DIA-6a508060-10
0.281
MAT-POS-8e4737f4-1
0.281
EDJ-MED-e4b030d8-13
0.281
BEN-DND-a7517465-4
0.281
EDG-MED-971238d3-1
0.281
MIC-UNK-7f86385f-1
0.280
ALP-UNI-3496895b-14
0.280
ALP-UNI-8e43a71e-14
0.280
EDJ-MED-611d11e7-4
0.280
MAT-POS-a5ef2d74-2
0.280
MAT-POS-ec6d90b7-4
0.280
MAR-UCB-fd2e172f-27
0.280
MAR-UCB-fd2e172f-33
0.280
MAR-UCB-fd2e172f-2
0.280
DAR-DIA-0f7b7cd9-8
0.280
MIC-UNK-7f86385f-4
0.279
VLA-UNK-ba665ac8-2
0.279
VLA-UCB-53bdeed6-4
0.278
ALP-POS-2da19ca7-6
0.278