Molecular Properties | |
SMILES: | C[C@@]1(C(=O)N2CCCc3c(N)cncc32)CCOc2ccc(Cl)cc21 |
MW: | 357.12 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 68.45 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-6
0.744
DAR-DIA-5a24bef0-9
0.744
DAR-DIA-5a24bef0-4
0.617
DAR-DIA-5a24bef0-7
0.585
DAR-DIA-5a24bef0-10
0.585
DAR-DIA-5a24bef0-1
0.485
DAR-DIA-5a24bef0-13
0.475
ALP-POS-cd485364-2
0.443
DAR-DIA-5a24bef0-17
0.443
DAR-DIA-5a24bef0-8
0.438
DAR-DIA-5a24bef0-14
0.429
DAR-DIA-5a24bef0-16
0.429
DAR-DIA-5a24bef0-15
0.429
BEN-DND-a7517465-4
0.400
MAT-POS-8e4737f4-1
0.400
DAR-DIA-5a24bef0-5
0.400
EDJ-MED-e4b030d8-13
0.400
DAR-DIA-6a508060-10
0.400
DAR-DIA-5a24bef0-2
0.389
EDG-MED-fe7487f8-6
0.371
MIK-NEW-9ae4bfeb-1
0.371
BRU-THA-a358fbdd-4
0.371
EDG-MED-21720aac-8
0.362
EDG-MED-21720aac-9
0.354
ALP-POS-5de921e7-1
0.352
ALP-POS-e6e0c683-2
0.348
EDG-MED-21720aac-10
0.347
ALP-POS-e6e0c683-1
0.345
EDG-MED-21720aac-2
0.344
EDG-MED-21720aac-3
0.340
EDG-MED-21720aac-6
0.340
EDG-MED-21720aac-5
0.337
MAT-POS-983b399a-1
0.336
BRU-THA-73c97d88-1
0.336
ALP-POS-477dc5b7-4
0.336
EDJ-MED-159244ea-1
0.336
ALP-POS-93b3621f-2
0.336
MAT-POS-e6dd326d-1
0.333
RAL-THA-e002e396-1
0.333
MAT-POS-2bb0cf2b-1
0.333
MAT-POS-45b13633-1
0.333
EDG-MED-21720aac-7
0.333
EDG-MED-21720aac-12
0.333
RAL-THA-e002e396-2
0.333
EDG-MED-971238d3-5
0.333
DAR-DIA-ecdbc7dd-4
0.331
EDJ-MED-f893e2a1-8
0.331
EDG-MED-90036822-11
0.328
EDG-MED-90036822-10
0.328
EDJ-MED-424a8a89-2
0.328
MAR-UCB-fd2e172f-30
0.328
BEN-BAS-c2bc0d80-7
0.328
EDJ-MED-159244ea-3
0.327
MAT-POS-983b399a-3
0.327
ALP-POS-5de921e7-5
0.327
EDG-MED-21720aac-11
0.327
EDG-MED-21720aac-1
0.326
DAR-DIA-ecdbc7dd-2
0.325
DAR-DIA-ecdbc7dd-3
0.325
MAT-POS-e20a5dfb-1
0.325
MAT-POS-e20a5dfb-2
0.325
ALP-POS-477dc5b7-5
0.325
DAR-DIA-ecdbc7dd-13
0.325
ALP-POS-e0fe77e5-7
0.325
MAR-UCB-fd2e172f-22
0.325
PET-UNK-0df12184-4
0.325
DAR-DIA-0f7b7cd9-9
0.325
EDG-MED-971238d3-2
0.325
ALP-POS-e0fe77e5-9
0.325
MAT-POS-9db1e783-2
0.325
KAD-UNI-8a629cb0-8
0.323
ALP-UNI-76695c4f-5
0.323
EDG-MED-21720aac-4
0.323
VLA-UCB-34f3ed0c-18
0.323
EDG-MED-90036822-60
0.323
EDG-MED-90036822-28
0.322
EDG-MED-90036822-29
0.322
RAL-THA-e002e396-11
0.322
MAR-UCB-fd2e172f-27
0.322
EDJ-MED-d203f206-22
0.321
EDG-MED-90036822-80
0.320
DAR-DIA-ecdbc7dd-11
0.320
ALP-POS-5de921e7-2
0.319
VLA-UNK-ba665ac8-2
0.319
MAT-POS-45b13633-2
0.319
MAR-UCB-fd2e172f-14
0.319
MAT-POS-e6dd326d-2
0.319
EDJ-MED-d2def222-1
0.319
PET-UNK-c761fc18-1
0.319
MAT-POS-2905de8c-2
0.319
EDG-MED-971238d3-11
0.319
EDJ-MED-15e90dfc-3
0.317
EDJ-MED-424a8a89-1
0.317
MAT-POS-78e1d523-2
0.317
RAL-THA-58fba2bc-1
0.316
EDG-MED-971238d3-6
0.316
EDG-MED-971238d3-10
0.316
MAT-POS-45b13633-4
0.316
MAR-UCB-fd2e172f-35
0.316
PET-UNK-0df12184-2
0.316