Molecular Properties | |
SMILES: | COc1cc(Cl)cc2c1OC[C@@H](C)[C@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 382.11 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-2
1.000
DAR-DIA-0d514e7d-19
0.824
DAR-DIA-0d514e7d-6
0.814
DAR-DIA-0d514e7d-18
0.795
DAR-DIA-0d514e7d-4
0.778
DAR-DIA-0d514e7d-9
0.703
DAR-DIA-0d514e7d-23
0.681
DAR-DIA-0d514e7d-7
0.677
DAR-DIA-0d514e7d-24
0.670
DAR-DIA-0d514e7d-13
0.663
DAR-DIA-0d514e7d-17
0.663
DAR-DIA-0d514e7d-15
0.653
DAR-DIA-0d514e7d-5
0.649
DAR-DIA-0d514e7d-16
0.649
DAR-DIA-0d514e7d-12
0.643
DAR-DIA-0d514e7d-10
0.640
DAR-DIA-0d514e7d-20
0.636
DAR-DIA-0d514e7d-14
0.636
DAR-DIA-0d514e7d-22
0.636
DAR-DIA-0d514e7d-21
0.630
MAT-POS-8a69d52e-7
0.620
EDJ-MED-e4b030d8-11
0.620
MAT-POS-8a69d52e-4
0.620
MAT-POS-8a69d52e-5
0.620
ADA-UCB-dc2b944c-14
0.620
MAT-POS-8a69d52e-6
0.620
ADA-UCB-dc2b944c-13
0.620
BRU-THA-01b12488-1
0.620
RAL-THA-05e671eb-19
0.617
EDJ-MED-e4b030d8-7
0.617
DAR-DIA-6a508060-4
0.617
MAT-POS-43fe65f4-1
0.617
DAR-DIA-0d514e7d-26
0.576
DAR-DIA-0d514e7d-25
0.576
ROB-UNI-8bf7c232-1
0.552
ALF-EVA-5b152d2f-6
0.551
DAR-DIA-0d514e7d-8
0.541
DAR-DIA-0d514e7d-11
0.541
MAR-UCB-6ab2ec87-4
0.510
DAR-DIA-0d514e7d-27
0.510
EDJ-MED-e4b030d8-4
0.510
DAR-DIA-0587064e-17
0.500
MAT-POS-5369c344-4
0.495
DAR-DIA-0587064e-12
0.495
BEN-BAS-5c03e89e-1
0.495
DAR-DIA-0d514e7d-34
0.495
DAR-DIA-0d514e7d-35
0.495
MAT-POS-777f5926-1
0.490
MAT-POS-22e8b45a-4
0.490
ROB-UNI-7b37d95b-1
0.480
MAR-UCB-6ab2ec87-2
0.480
VLA-UCB-05e51b3f-11
0.477
VLA-UCB-50c39ae8-8
0.477
MAT-POS-5369c344-1
0.477
LAU-MED-88a3970a-2
0.477
LAU-MED-88a3970a-1
0.477
DAR-DIA-0587064e-15
0.477
EDJ-MED-e4b030d8-6
0.476
MAK-UNK-8be7dca9-3
0.476
DAR-DIA-0d514e7d-3
0.475
ADA-UCB-dc2b944c-15
0.475
MAT-POS-bbbbc21a-2
0.474
EDJ-MED-12c115cc-1
0.474
MAT-POS-f7918075-2
0.474
EDJ-MED-12c115cc-2
0.474
FRA-DIA-c7e803f4-1
0.474
FRA-DIA-0fa076fe-1
0.474
NAU-LAT-0543f7f2-10
0.473
RAL-THA-05e671eb-23
0.470
MAT-POS-5369c344-3
0.468
DAR-DIA-0587064e-19
0.468
LAU-MED-88a3970a-4
0.468
LAU-MED-88a3970a-3
0.468
BEN-BAS-5c03e89e-2
0.466
MAT-POS-f39f51fd-1
0.465
MAT-POS-2e8b2191-2
0.461
PET-UNK-c0891748-6
0.461
ADA-UCB-dc2b944c-16
0.461
PET-UNK-c0891748-12
0.461
DAR-DIA-23e5a6a0-3
0.460
DAR-DIA-23e5a6a0-5
0.460
MAT-POS-5369c344-7
0.460
DAR-DIA-0587064e-22
0.460
MAT-POS-5369c344-5
0.460
FRA-DIA-0fa076fe-2
0.459
RAL-THA-c9f97604-2
0.457
RAL-THA-05e671eb-17
0.456
DAR-DIA-0d514e7d-33
0.456
RAL-THA-05e671eb-18
0.456
DAR-DIA-0587064e-20
0.456
EDJ-MED-e4b030d8-12
0.455
MAT-POS-8e4737f4-2
0.455
DAR-DIA-0d514e7d-36
0.455
MAT-POS-5369c344-2
0.455
DAR-DIA-0587064e-10
0.455
DAR-DIA-0587064e-16
0.455
DAR-DIA-23e5a6a0-2
0.452
ALP-UNI-3735e77e-2
0.451
DAR-DIA-9f765dc6-5
0.451
DAR-DIA-9f765dc6-6
0.451