Molecular Properties | |
SMILES: | COc1cccc(CC(Nc2cnccc2C)C(F)(F)F)c1 |
MW: | 310.319 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 34.15 |
cLogP: | 3.98412 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
EDJ-MED-e58735b6-1
0.474
ANN-UNI-98d2bf15-5
0.415
MAR-TRE-4f781e27-56
0.386
BAR-COM-0f94fc3d-19
0.373
JAN-GHE-83b26c96-14
0.361
DAR-DIA-0cde14eb-76
0.361
ALP-POS-95b75b4d-3
0.361
MAR-TRE-8190bb11-70
0.360
DAR-DIA-0cde14eb-79
0.353
DAR-DIA-0cde14eb-77
0.341
MAT-POS-c9973a83-1
0.337
MAR-TRE-9d18ae8c-86
0.333
MAR-TRE-9d18ae8c-24
0.330
MAR-TRE-9d18ae8c-19
0.330
EDJ-MED-e58735b6-2
0.329
ALP-POS-95b75b4d-2
0.329
BEN-DND-d1eb1f41-16
0.326
JAN-GHE-83b26c96-12
0.325
ALP-POS-95b75b4d-1
0.325
MAT-POS-590ac91e-1
0.324
ERI-UCB-5b47150d-1
0.324
MAT-POS-590ac91e-2
0.324
BRU-LEF-c49414a7-1
0.323
RAL-THA-901e9a10-7
0.323
EDJ-MED-e58735b6-4
0.319
ALP-POS-95b75b4d-4
0.318
BAR-COM-0f94fc3d-38
0.318
MAT-POS-6c3d76b3-1
0.314
MAT-POS-0d6fb2dd-1
0.314
JAN-GHE-83b26c96-23
0.314
EDG-MED-0da5ad92-5
0.314
EDG-MED-0da5ad92-6
0.313
BEN-DND-93268d01-14
0.313
JAN-GHE-83b26c96-13
0.313
TRY-UNI-714a760b-6
0.313
BEN-DND-93268d01-6
0.310
MAR-UNA-df66f71a-1
0.307
EDG-MED-0da5ad92-10
0.306
JAN-GHE-83b26c96-22
0.306
JAN-GHE-83b26c96-17
0.306
BEN-DND-93268d01-2
0.306
DAN-RED-da448e80-13
0.304
TRY-UNI-714a760b-5
0.304
MAT-POS-1e5f28a7-1
0.303
TRY-UNI-2eddb1ff-5
0.302
JAN-GHE-83b26c96-5
0.302
TRY-UNI-2eddb1ff-4
0.302
JAN-GHE-83b26c96-4
0.302
TRY-UNI-714a760b-18
0.302
DAR-DIA-0cde14eb-2
0.300
BEN-DND-d1eb1f41-14
0.299
RAL-THA-901e9a10-5
0.299
ANN-UNI-98d2bf15-2
0.299
ALP-POS-f13221e1-4
0.299
MAR-TRE-8190bb11-58
0.299
BEN-DND-93268d01-13
0.298
DAR-DIA-0cde14eb-3
0.297
RAL-THA-2d450e86-11
0.297
TRY-UNI-714a760b-20
0.295
MIH-UNI-3396182e-1
0.295
MAK-UNK-f203cb68-19
0.295
ADA-UCB-6c2cb422-9
0.294
JOH-UNI-61f30276-4
0.293
GAB-REV-70cc3ca5-15
0.293
EDJ-MED-e58735b6-3
0.292
DAR-DIA-0cde14eb-78
0.292
MAT-POS-136e7878-2
0.291
MAT-POS-5d20d11c-1
0.291
MAT-POS-590ac91e-16
0.291
MAK-UNK-f203cb68-18
0.291
GAB-REV-70cc3ca5-13
0.291
AAR-POS-d2a4d1df-3
0.290
MAK-UNK-6435e6c2-8
0.290
ASH-SAT-43770c7d-9
0.289
DAR-DIA-0cde14eb-7
0.289
DAR-DIA-0cde14eb-1
0.289
MAK-UNK-6ca90168-27
0.288
MAR-UCB-195bc32d-10
0.287
DAR-DIA-0cde14eb-14
0.287
JAG-UCB-cedd89ab-8
0.286
TRY-UNI-714a760b-12
0.286
IND-SYN-2c708b29-2
0.286
JAN-GHE-83b26c96-9
0.284
MAR-TRE-d3c2bf0e-54
0.284
MAK-UNK-6ca90168-26
0.284
SEB-EST-28768d06-1
0.283
MAK-UNK-f203cb68-1
0.283
JAN-GHE-83b26c96-8
0.283
DAR-DIA-0cde14eb-4
0.283
BEN-DND-93268d01-5
0.282
MAK-UNK-6ca90168-24
0.282
SAD-SAT-7d5528d9-13
0.281
MAR-TRE-4f781e27-37
0.281
MAT-POS-590ac91e-9
0.280
MAT-POS-590ac91e-11
0.278
NAU-LAT-0543f7f2-5
0.278
CHO-MSK-6e55470f-14
0.278
JAN-GHE-83b26c96-10
0.278
MAR-TRE-4f781e27-35
0.278
MAK-UNK-f203cb68-22
0.277