Molecular Properties | |
SMILES: | CN(C(=O)C1COc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-UCB-7ba4ac3a-2
0.741
MAK-UNK-3875bbc8-2
0.741
NIR-THE-47736cde-2
0.674
MAT-POS-e69ad64a-2
0.674
NIR-THE-47736cde-1
0.674
NIR-THE-af15c15d-1
0.670
JOH-UNI-21fd6073-3
0.670
NIR-THE-2069301b-1
0.667
DAR-DIA-b4e9dd8d-3
0.628
DAR-DIA-b4e9dd8d-6
0.628
DAR-DIA-b4e9dd8d-1
0.628
JOH-UNI-21fd6073-4
0.592
EDJ-MED-12c115cc-2
0.570
MAT-POS-bbbbc21a-2
0.570
MAT-POS-f7918075-2
0.570
EDJ-MED-12c115cc-1
0.570
MAK-UNK-3875bbc8-1
0.556
VLA-UCB-05e51b3f-4
0.554
VLA-UCB-50c39ae8-1
0.554
DAR-DIA-5ff57136-14
0.542
JOH-UNI-21fd6073-1
0.532
MAK-UNK-3875bbc8-3
0.528
PET-UNK-064639eb-6
0.526
PET-UNK-064639eb-3
0.526
JOH-UNI-21fd6073-2
0.523
VLA-UCB-05e51b3f-9
0.521
VLA-UCB-50c39ae8-6
0.521
VLA-UNK-4b5c0188-1
0.520
VLA-UCB-05e51b3f-10
0.515
VLA-UCB-50c39ae8-7
0.515
MAT-POS-090737b9-1
0.515
DAR-DIA-5ff57136-16
0.515
JOH-UNI-ea72002d-7
0.515
DAR-DIA-5ff57136-15
0.515
DAR-DIA-5ff57136-18
0.510
VLA-UNK-5c5a631c-3
0.505
DAR-DIA-5ff57136-1
0.505
DAR-DIA-5ff57136-2
0.505
DAR-DIA-5ff57136-13
0.505
JOH-UNI-ea72002d-6
0.505
DAR-DIA-5ff57136-11
0.500
DAR-DIA-5ff57136-19
0.500
VLA-UNK-5c5a631c-2
0.495
JOH-UNI-ea72002d-1
0.495
VLA-UCB-34f3ed0c-1
0.495
VLA-UCB-34f3ed0c-19
0.495
DAR-DIA-5ff57136-10
0.495
DAR-DIA-5ff57136-17
0.490
VLA-UCB-34f3ed0c-20
0.490
DAR-DIA-5ff57136-9
0.486
MAT-POS-9db1e783-3
0.486
ALP-UNI-44c99a80-3
0.481
ALP-UNI-44c99a80-2
0.476
MAR-UCB-6ab2ec87-5
0.473
VLA-UNK-5c5a631c-1
0.467
ALF-EVA-5b152d2f-4
0.464
EDJ-MED-e4b030d8-2
0.464
ALP-POS-d3acb8cc-4
0.464
ALP-POS-d3acb8cc-1
0.464
EDJ-MED-e4b030d8-3
0.464
MAT-POS-8a69d52e-1
0.464
MAT-POS-8a69d52e-3
0.464
ALP-POS-d3acb8cc-2
0.464
MAT-POS-8a69d52e-2
0.464
ALP-POS-d3acb8cc-3
0.464
VLA-UCB-05e51b3f-7
0.464
VLA-UCB-50c39ae8-4
0.464
VLA-UCB-1dbca3b4-15
0.463
MAT-POS-b3e365b9-2
0.463
MAT-POS-b3e365b9-1
0.463
MAT-POS-f7918075-1
0.463
DAR-DIA-5ff57136-12
0.459
MAK-UNK-83e0a0b4-3
0.459
DAR-DIA-6a508060-1
0.458
EDJ-MED-e4b030d8-11
0.454
MAT-POS-8a69d52e-4
0.454
ADA-UCB-dc2b944c-14
0.454
MAT-POS-8a69d52e-5
0.454
BRU-THA-01b12488-1
0.454
MAT-POS-8a69d52e-6
0.454
MAT-POS-8a69d52e-7
0.454
ADA-UCB-dc2b944c-13
0.454
MAT-POS-bb423b95-7
0.449
ALF-EVA-5b152d2f-1
0.449
ALF-EVA-a24cc7ce-4
0.448
BEN-BAS-5c03e89e-1
0.444
DAR-DIA-6a508060-2
0.443
ALF-EVA-5b152d2f-6
0.440
MAT-POS-2e8b2191-2
0.439
ADA-UCB-dc2b944c-16
0.439
ALF-EVA-a24cc7ce-1
0.438
FRA-DIA-a1f3a927-1
0.434
NIR-WEI-acbd6416-2
0.434
ERI-UCB-b3e6b0c2-1
0.434
ALF-EVA-a24cc7ce-7
0.432
MAK-UNK-8be7dca9-10
0.430
EDJ-MED-e4b030d8-6
0.427
DAR-DIA-0d514e7d-35
0.427
DAR-DIA-0d514e7d-34
0.427
MAK-UNK-8be7dca9-3
0.426