Molecular Properties | |
SMILES: | C[C@H]1COc2c(-c3cc(F)ccc3F)cc(Cl)cc2[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 464.11 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 6.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-12
0.798
DAR-DIA-0d514e7d-16
0.787
DAR-DIA-0d514e7d-14
0.771
DAR-DIA-0d514e7d-13
0.747
DAR-DIA-0d514e7d-17
0.729
DAR-DIA-0d514e7d-9
0.698
DAR-DIA-0d514e7d-19
0.663
DAR-DIA-0d514e7d-18
0.660
DAR-DIA-0d514e7d-6
0.657
DAR-DIA-0d514e7d-1
0.653
DAR-DIA-0d514e7d-2
0.653
DAR-DIA-0d514e7d-4
0.631
DAR-DIA-0d514e7d-7
0.624
DAR-DIA-0d514e7d-24
0.618
DAR-DIA-0d514e7d-23
0.612
DAR-DIA-0d514e7d-20
0.604
MAT-POS-8a69d52e-5
0.602
MAT-POS-8a69d52e-6
0.602
ADA-UCB-dc2b944c-13
0.602
MAT-POS-8a69d52e-7
0.602
EDJ-MED-e4b030d8-11
0.602
MAT-POS-8a69d52e-4
0.602
BRU-THA-01b12488-1
0.602
ADA-UCB-dc2b944c-14
0.602
DAR-DIA-0d514e7d-5
0.600
DAR-DIA-0d514e7d-10
0.593
DAR-DIA-0d514e7d-22
0.589
DAR-DIA-0d514e7d-21
0.583
ROB-UNI-8bf7c232-1
0.570
ALF-EVA-5b152d2f-6
0.538
DAR-DIA-0d514e7d-8
0.529
DAR-DIA-0d514e7d-11
0.529
MAT-POS-777f5926-1
0.495
MAT-POS-22e8b45a-4
0.495
BEN-BAS-5c03e89e-1
0.486
ROB-UNI-7b37d95b-1
0.486
DAR-DIA-0d514e7d-35
0.485
DAR-DIA-0d514e7d-34
0.485
MAR-UCB-6ab2ec87-4
0.471
EDJ-MED-e4b030d8-6
0.468
MAK-UNK-8be7dca9-3
0.468
BEN-BAS-5c03e89e-2
0.459
MAR-UCB-6ab2ec87-2
0.457
ADA-UCB-dc2b944c-15
0.454
DAR-DIA-0d514e7d-3
0.454
EDJ-MED-12c115cc-1
0.452
EDJ-MED-12c115cc-2
0.452
ALF-EVA-ced740bd-4
0.452
MAT-POS-bbbbc21a-2
0.452
MAT-POS-f7918075-2
0.452
DAR-DIA-0d514e7d-33
0.450
RAL-THA-05e671eb-17
0.450
DAR-DIA-70d163b2-3
0.443
ADA-UCB-dc2b944c-16
0.440
MAT-POS-2e8b2191-2
0.440
RAL-THA-c9f97604-2
0.438
DAR-DIA-9f765dc6-1
0.436
DAR-DIA-9f765dc6-4
0.436
DAR-DIA-9f765dc6-3
0.436
DAR-DIA-0d514e7d-36
0.435
MAT-POS-b3e365b9-2
0.435
MAT-POS-b3e365b9-1
0.435
VLA-UCB-1dbca3b4-15
0.435
ALP-UNI-c3ef0aba-2
0.435
BEN-DND-f2e727cd-4
0.435
VLA-UNK-f49ebb87-1
0.435
MAT-POS-f7918075-1
0.435
VLA-UNK-61877630-2
0.432
DAR-DIA-9f765dc6-5
0.431
DAR-DIA-9f765dc6-2
0.431
MAT-POS-f39f51fd-1
0.431
RAL-THA-05e671eb-16
0.431
DAR-DIA-9f765dc6-6
0.431
ALP-UNI-3735e77e-2
0.431
VLA-UCB-1dbca3b4-16
0.431
EDJ-MED-e4b030d8-7
0.429
DAR-DIA-6a508060-4
0.429
RAL-THA-c9f97604-1
0.429
MAT-POS-43fe65f4-1
0.429
RAL-THA-05e671eb-19
0.429
DAR-DIA-9f765dc6-7
0.427
DAR-DIA-9f765dc6-8
0.427
DAR-DIA-9f765dc6-9
0.427
ALP-UNI-3735e77e-3
0.427
RAL-THA-05e671eb-11
0.427
PET-UNK-c0891748-6
0.427
PET-UNK-c0891748-12
0.427
MAT-POS-2e8b2191-3
0.427
ROB-UNI-322e8f70-1
0.426
FRA-DIA-0fa076fe-2
0.425
MIC-UNK-89b52b17-4
0.424
ALP-POS-d3acb8cc-4
0.423
EDJ-MED-e4b030d8-3
0.423
ALP-POS-d3acb8cc-1
0.423
MAT-POS-8a69d52e-1
0.423
MAT-POS-8a69d52e-2
0.423
MAT-POS-8a69d52e-3
0.423
MAT-POS-a13804f0-2
0.423
RAL-THA-05e671eb-18
0.423
EDJ-MED-e4b030d8-2
0.423