Molecular Properties | |
SMILES: | C[C@H]1COc2c(NC3CC3)cc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 407.14 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 5.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-5
0.906
DAR-DIA-0d514e7d-6
0.717
DAR-DIA-0d514e7d-10
0.694
DAR-DIA-0d514e7d-4
0.688
DAR-DIA-0d514e7d-1
0.677
DAR-DIA-0d514e7d-2
0.677
DAR-DIA-0d514e7d-9
0.670
DAR-DIA-0d514e7d-19
0.670
DAR-DIA-0d514e7d-23
0.667
DAR-DIA-0d514e7d-24
0.656
DAR-DIA-0d514e7d-16
0.653
DAR-DIA-0d514e7d-18
0.649
DAR-DIA-0d514e7d-13
0.649
DAR-DIA-0d514e7d-17
0.649
DAR-DIA-0d514e7d-20
0.640
DAR-DIA-0d514e7d-14
0.640
DAR-DIA-0d514e7d-22
0.640
DAR-DIA-0d514e7d-21
0.634
DAR-DIA-0d514e7d-12
0.630
DAR-DIA-0d514e7d-15
0.624
MAT-POS-8a69d52e-7
0.624
EDJ-MED-e4b030d8-11
0.624
MAT-POS-8a69d52e-4
0.624
ADA-UCB-dc2b944c-13
0.624
BRU-THA-01b12488-1
0.624
MAT-POS-8a69d52e-5
0.624
ADA-UCB-dc2b944c-14
0.624
MAT-POS-8a69d52e-6
0.624
ALF-EVA-5b152d2f-6
0.571
DAR-DIA-0d514e7d-8
0.545
DAR-DIA-0d514e7d-11
0.545
ROB-UNI-8bf7c232-1
0.541
ROB-UNI-7b37d95b-1
0.500
BEN-BAS-5c03e89e-1
0.500
MAR-UCB-6ab2ec87-4
0.500
MAT-POS-22e8b45a-4
0.495
MAT-POS-777f5926-1
0.495
DAR-DIA-0d514e7d-34
0.485
DAR-DIA-0d514e7d-35
0.485
MAR-UCB-6ab2ec87-2
0.485
EDJ-MED-e4b030d8-6
0.481
MAK-UNK-8be7dca9-3
0.481
RAL-THA-05e671eb-18
0.476
ALP-UNI-3735e77e-2
0.471
RAL-THA-05e671eb-16
0.471
DAR-DIA-0d514e7d-3
0.466
ADA-UCB-dc2b944c-15
0.466
MAT-POS-bbbbc21a-2
0.465
EDJ-MED-12c115cc-1
0.465
MAT-POS-f7918075-2
0.465
EDJ-MED-12c115cc-2
0.465
EDJ-MED-12f7f543-1
0.461
PET-UNK-c0891748-2
0.461
PET-UNK-c0891748-8
0.461
ALP-POS-fe871b40-5
0.461
RAL-THA-05e671eb-25
0.461
EDJ-MED-e4b030d8-4
0.459
BEN-BAS-5c03e89e-2
0.457
MAT-POS-f39f51fd-1
0.456
EDJ-MED-e4b030d8-5
0.453
EDJ-MED-e4b030d8-7
0.453
DAR-DIA-6a508060-4
0.453
MAT-POS-43fe65f4-1
0.453
RAL-THA-c9f97604-1
0.453
RAL-THA-05e671eb-19
0.453
MAT-POS-2e8b2191-2
0.452
ALP-POS-ce760d3f-1
0.452
ADA-UCB-dc2b944c-16
0.452
ROB-UNI-322e8f70-1
0.451
FRA-DIA-0fa076fe-2
0.450
FRA-DIA-c7e803f4-1
0.449
FRA-DIA-0fa076fe-1
0.449
RAL-THA-c9f97604-2
0.449
RAL-THA-05e671eb-17
0.448
DAR-DIA-0d514e7d-33
0.448
VLA-UCB-1dbca3b4-15
0.447
MAT-POS-78e1d523-1
0.447
MAT-POS-f7918075-1
0.447
DAR-DIA-0d514e7d-36
0.447
MAT-POS-b3e365b9-1
0.447
MAT-POS-b3e365b9-2
0.447
MIC-UNK-89b52b17-4
0.446
DAR-DIA-9f765dc6-6
0.442
VLA-UCB-1dbca3b4-16
0.442
DAR-DIA-9f765dc6-2
0.442
DAR-DIA-9f765dc6-5
0.442
RAL-THA-05e671eb-26
0.442
LAU-MED-88a3970a-10
0.441
LAU-MED-88a3970a-9
0.441
RAL-THA-8416115c-3
0.439
PET-UNK-c0891748-6
0.438
PET-UNK-c0891748-12
0.438
DAR-DIA-0d514e7d-26
0.436
DAR-DIA-0d514e7d-25
0.436
ALP-POS-fe871b40-1
0.435
RAL-THA-05e671eb-20
0.435
EDJ-MED-e4b030d8-3
0.434
ALP-POS-d3acb8cc-1
0.434
MAT-POS-8a69d52e-1
0.434
ALP-POS-d3acb8cc-3
0.434