Molecular Properties | |
SMILES: | Cc1nnc(C(C(=O)Nc2cnccc2C)N2CCCC(F)C2)s1 |
MW: | 349.435 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.01 |
cLogP: | 2.66364 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-SGC-01d224dd-1
1.000
TRY-UNI-9f475305-4
0.635
MIH-UNI-6b9ca91a-2
0.436
SAM-UNK-2684b532-3
0.427
TRY-UNI-9f475305-3
0.427
ALE-HEI-f28a35b5-2
0.422
MAT-POS-590ac91e-5
0.405
MAK-UNK-902cc841-15
0.404
MAK-UNK-902cc841-17
0.400
BEN-DND-6de5dfa0-10
0.391
TRY-UNI-714a760b-16
0.391
MAT-POS-590ac91e-1
0.388
ERI-UCB-5b47150d-1
0.388
MAT-POS-590ac91e-2
0.388
VLA-UCB-05e51b3f-2
0.384
NAU-LAT-a5c7d7cb-3
0.384
MAK-UNK-f203cb68-16
0.379
MAK-UNK-f203cb68-17
0.379
MAK-UNK-f203cb68-15
0.375
MAK-UNK-f203cb68-14
0.375
TRY-UNI-714a760b-11
0.372
ALE-HEI-f28a35b5-7
0.372
NAU-LAT-3f5f3993-1
0.371
NAU-LAT-3f5f3993-2
0.371
MAT-POS-5d20d11c-1
0.369
MAT-POS-590ac91e-16
0.369
ALE-HEI-f28a35b5-3
0.368
MAT-POS-590ac91e-14
0.367
MAT-POS-590ac91e-19
0.360
MAT-POS-590ac91e-13
0.357
BEN-DND-93268d01-14
0.356
EDJ-MED-3c65e9ce-4
0.356
DAR-DIA-0cde14eb-70
0.354
ABI-SAT-4d06482b-1
0.352
TRY-UNI-714a760b-10
0.352
ALE-HEI-f28a35b5-6
0.352
EDG-MED-0da5ad92-4
0.352
BEN-DND-93268d01-11
0.352
DAR-DIA-0cde14eb-72
0.351
JAN-GHE-83b26c96-8
0.351
DAR-DIA-0cde14eb-27
0.349
MAT-POS-590ac91e-10
0.348
JAN-GHE-83b26c96-10
0.347
DAR-DIA-0cde14eb-71
0.347
SAM-UNK-2684b532-10
0.347
NAU-LAT-3f5f3993-10
0.347
MAT-POS-590ac91e-18
0.345
EDJ-MED-3c65e9ce-1
0.344
BEN-DND-93268d01-8
0.344
MAT-POS-1e5f28a7-1
0.344
AAR-POS-d2a4d1df-3
0.342
MAK-UNK-6435e6c2-8
0.342
TRY-UNI-714a760b-17
0.341
AHN-SAT-202241f6-1
0.341
MAT-POS-590ac91e-7
0.341
ERI-UCB-5b47150d-6
0.341
EDG-MED-0da5ad92-5
0.340
MAR-TRE-67513f76-68
0.340
MAK-UNK-129dcd6f-18
0.340
DAR-DIA-0cde14eb-25
0.340
MAK-UNK-6ca90168-27
0.338
BEN-DND-09b88bf4-5
0.337
BEN-DND-93268d01-9
0.337
MAT-POS-590ac91e-22
0.337
BEN-DND-22e6b372-4
0.337
TRY-UNI-2eddb1ff-3
0.337
DAR-DIA-0cde14eb-65
0.337
BEN-DND-6de5dfa0-14
0.337
DAR-DIA-0cde14eb-73
0.337
DAR-DIA-0cde14eb-28
0.336
MAT-POS-590ac91e-28
0.333
CHR-SOS-1f323c23-7
0.333
EDG-MED-0da5ad92-9
0.333
BEN-DND-93268d01-3
0.333
BEN-DND-93268d01-2
0.333
BEN-DND-93268d01-10
0.333
BEN-DND-6de5dfa0-15
0.333
DAR-DIA-0cde14eb-26
0.333
BEN-DND-6de5dfa0-6
0.333
SCO-VAN-260d9628-1
0.333
ALE-HEI-f28a35b5-17
0.333
DAR-DIA-0cde14eb-12
0.330
DAR-DIA-0cde14eb-13
0.330
CHR-SOS-1f323c23-4
0.330
DAR-DIA-0cde14eb-61
0.330
TRY-UNI-714a760b-22
0.330
MAK-UNK-129dcd6f-15
0.330
ALP-POS-95b75b4d-4
0.330
JAN-GHE-83b26c96-5
0.330
BEN-DND-09b88bf4-2
0.330
TRY-UNI-2eddb1ff-5
0.330
JAN-GHE-83b26c96-4
0.330
BEN-DND-6de5dfa0-1
0.330
TRY-UNI-2eddb1ff-4
0.330
BEN-DND-6de5dfa0-4
0.330
BEN-DND-22e6b372-3
0.330
TRY-UNI-714a760b-18
0.330
BEN-DND-03406596-7
0.330
BEN-DND-09b88bf4-4
0.330
MAT-POS-590ac91e-3
0.330