Molecular Properties | |
SMILES: | Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCC=C(F)C2)s1 |
MW: | 347.12 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.01 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-SGC-01d224dd-1
0.635
TRY-UNI-9f475305-5
0.635
TRY-UNI-9f475305-3
0.441
SAM-UNK-2684b532-3
0.441
MAK-UNK-902cc841-15
0.433
ALE-HEI-f28a35b5-2
0.420
MAK-UNK-902cc841-17
0.413
BEN-DND-6de5dfa0-10
0.405
MIH-UNI-6b9ca91a-2
0.404
MAT-POS-590ac91e-5
0.386
MAT-POS-590ac91e-2
0.385
ERI-UCB-5b47150d-1
0.385
MAT-POS-590ac91e-1
0.385
MAT-POS-5d20d11c-1
0.383
MAT-POS-590ac91e-16
0.383
NAU-LAT-a5c7d7cb-3
0.381
VLA-UCB-05e51b3f-2
0.381
ALE-HEI-f28a35b5-3
0.381
ABI-SAT-4d06482b-1
0.381
DAR-DIA-0cde14eb-70
0.380
MAK-UNK-f203cb68-17
0.376
DAR-DIA-0cde14eb-72
0.376
TRY-UNI-714a760b-16
0.372
MAT-POS-590ac91e-13
0.370
DAR-DIA-0cde14eb-12
0.368
DAR-DIA-0cde14eb-73
0.362
SCO-VAN-260d9628-1
0.361
ALE-HEI-f28a35b5-17
0.361
MAK-UNK-f203cb68-14
0.358
MAK-UNK-f203cb68-15
0.358
DAR-DIA-0cde14eb-10
0.358
DAR-DIA-0cde14eb-71
0.358
MAT-POS-590ac91e-19
0.357
EDJ-MED-3c65e9ce-1
0.356
BEN-DND-93268d01-8
0.356
MAK-UNK-6435e6c2-8
0.356
AAR-POS-d2a4d1df-3
0.356
BEN-DND-09b88bf4-4
0.356
BEN-DND-6de5dfa0-4
0.356
DAR-DIA-0cde14eb-61
0.355
BEN-DND-22e6b372-1
0.355
TRY-UNI-714a760b-22
0.355
DAR-DIA-0cde14eb-11
0.354
DAR-DIA-0cde14eb-13
0.354
AHN-SAT-202241f6-1
0.353
TRY-UNI-714a760b-17
0.353
NAU-LAT-3f5f3993-2
0.352
BEN-DND-93268d01-14
0.352
DAN-RED-da448e80-17
0.351
BEN-DND-93268d01-9
0.349
BEN-DND-09b88bf4-5
0.349
BEN-DND-93268d01-11
0.349
MAT-POS-590ac91e-14
0.348
BEN-DND-22e6b372-4
0.348
TRY-UNI-2eddb1ff-3
0.348
BEN-DND-22e6b372-2
0.348
DAR-DIA-0cde14eb-65
0.348
DAN-RED-da448e80-5
0.347
DAR-DIA-0cde14eb-75
0.347
DAR-DIA-0cde14eb-27
0.346
DAR-DIA-0cde14eb-28
0.346
BEN-DND-93268d01-3
0.345
BEN-DND-93268d01-10
0.345
BEN-DND-6de5dfa0-5
0.344
MAT-POS-590ac91e-28
0.344
BEN-DND-93268d01-2
0.344
NAU-LAT-3f5f3993-10
0.343
DAR-DIA-0cde14eb-15
0.343
MAK-UNK-8145c7a0-3
0.343
JAN-GHE-83b26c96-5
0.341
TRY-UNI-2eddb1ff-5
0.341
JAN-GHE-83b26c96-4
0.341
TRY-UNI-2eddb1ff-4
0.341
BEN-DND-6de5dfa0-1
0.341
BEN-DND-03406596-7
0.341
BEN-DND-22e6b372-3
0.341
TRY-UNI-714a760b-18
0.341
BEN-DND-09b88bf4-2
0.341
NAU-LAT-3f5f3993-1
0.340
ALE-HEI-f28a35b5-7
0.337
TRY-UNI-714a760b-11
0.337
EDJ-MED-3c65e9ce-4
0.337
MAR-TRE-67513f76-68
0.337
DAR-DIA-0cde14eb-25
0.337
BEN-DND-6de5dfa0-13
0.333
BEN-DND-93268d01-12
0.333
MAK-UNK-f203cb68-16
0.333
MAK-UNK-6ca90168-27
0.333
ASH-SAT-43770c7d-9
0.333
SAM-UNK-2684b532-1
0.333
DAR-DIA-6a508060-12
0.333
DAR-DIA-0cde14eb-26
0.330
SAM-UNK-2684b532-10
0.330
DAR-DIA-0cde14eb-67
0.330
BEN-DND-6de5dfa0-6
0.330
JAN-GHE-83b26c96-10
0.330
CHR-SOS-1f323c23-7
0.330
BEN-DND-09b88bf4-3
0.330
NAU-LAT-3f5f3993-5
0.330
BEN-DND-6de5dfa0-3
0.330