Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cncc(C#N)c1Oc1ccc(S(N)(=O)=O)cc1 |
MW: | 424.442 |
Fraction sp3: | 0.05 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 160.09 |
cLogP: | 2.7404 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
CHR-SOS-363cfb78-7
0.724
CHR-SOS-363cfb78-6
0.723
CHR-SOS-363cfb78-4
0.687
CHR-SOS-1f323c23-12
0.506
CHR-SOS-363cfb78-5
0.500
CHR-SOS-1f323c23-9
0.494
CHR-SOS-363cfb78-3
0.483
CHR-SOS-1f323c23-3
0.478
PED-UNI-292b67d6-1
0.443
GAB-REV-70cc3ca5-3
0.432
GAB-REV-70cc3ca5-20
0.429
CHR-SOS-363cfb78-2
0.419
CHR-SOS-1f323c23-11
0.417
ASH-SAT-43770c7d-9
0.416
CHR-SOS-1f323c23-8
0.408
CHR-SOS-1f323c23-5
0.404
TRY-UNI-714a760b-24
0.398
ALE-HEI-f28a35b5-2
0.398
CHR-SOS-1f323c23-2
0.396
TRY-UNI-1fd04853-2
0.391
CHR-SOS-1f323c23-6
0.389
TRY-UNI-1fd04853-3
0.384
TRY-UNI-714a760b-4
0.378
ALE-HEI-f28a35b5-1
0.378
DAR-DIA-0cde14eb-69
0.376
DAR-DIA-0cde14eb-68
0.374
DAR-DIA-0cde14eb-9
0.372
ALE-HEI-f28a35b5-13
0.366
CHR-SOS-1f323c23-10
0.363
DAR-DIA-0cde14eb-24
0.362
MAT-POS-590ac91e-14
0.360
DAR-DIA-0cde14eb-65
0.359
SAD-SAT-cefd50cc-10
0.358
CHR-SOS-6c45c019-9
0.358
MAT-POS-590ac91e-26
0.356
DAR-DIA-0cde14eb-5
0.355
CHR-SOS-1f323c23-7
0.355
EDJ-MED-e58735b6-3
0.355
CHR-SOS-6c45c019-8
0.354
TRY-UNI-714a760b-12
0.352
JAG-UCB-cedd89ab-8
0.352
AAR-POS-d2a4d1df-3
0.351
MAK-UNK-6435e6c2-8
0.351
DAR-DIA-0cde14eb-6
0.351
DAR-DIA-0cde14eb-7
0.351
DAR-DIA-0cde14eb-8
0.351
SIM-DEM-f31d0e65-1
0.351
CHR-SOS-1f323c23-4
0.351
CHR-SOS-6c45c019-12
0.351
PET-SGC-83d43576-1
0.351
CHR-SOS-6c45c019-6
0.351
DAN-RED-da448e80-13
0.351
ALE-HEI-f28a35b5-7
0.349
TRY-UNI-714a760b-11
0.349
CHR-SOS-6c45c019-11
0.347
RAL-THA-6b94ceba-13
0.347
CHR-SOS-6c45c019-5
0.347
PET-SGC-d0fd10df-1
0.347
ASH-UNK-40b46b30-10
0.347
PET-SGC-05cff2e1-1
0.346
MAT-POS-590ac91e-2
0.346
ERI-UCB-5b47150d-1
0.346
MAT-POS-590ac91e-1
0.346
MAT-POS-590ac91e-27
0.344
CHR-SOS-1f323c23-1
0.344
CHR-SOS-6c45c019-3
0.343
TRY-UNI-bbd40bb4-6
0.343
MIH-UNI-6b9ca91a-3
0.343
DAR-DIA-0cde14eb-66
0.340
DAR-DIA-0cde14eb-67
0.340
CHR-SOS-6c45c019-2
0.340
CHR-SOS-e960e883-5
0.340
HAR-NEW-e34cb1ae-4
0.339
ERI-UCB-5b47150d-4
0.337
ALE-HEI-f28a35b5-11
0.337
MAT-POS-590ac91e-15
0.337
TRY-UNI-714a760b-22
0.337
NAU-LAT-3f5f3993-2
0.333
TRY-UNI-2eddb1ff-1
0.333
CHR-SOS-e960e883-6
0.333
MAT-POS-590ac91e-9
0.333
MAT-POS-590ac91e-13
0.333
DAR-DIA-0cde14eb-20
0.330
MAT-POS-5d20d11c-1
0.329
MAT-POS-590ac91e-16
0.329
MAK-UNK-6ca90168-27
0.329
CHO-MSK-6e55470f-23
0.328
MAK-UNK-f203cb68-18
0.326
BEN-DND-6de5dfa0-5
0.326
MAK-UNK-6ca90168-26
0.325
DAR-DIA-0cde14eb-22
0.324
MAK-UNK-129dcd6f-4
0.323
DAN-RED-da448e80-1
0.323
MAK-UNK-129dcd6f-15
0.323
DRE-WAB-eb790b7a-1
0.323
PED-UNI-5b7f1100-1
0.323
PED-UNI-8d53fd73-1
0.323
BEN-DND-6de5dfa0-10
0.322
PET-SGC-6e7c5dc0-1
0.322
DAR-DIA-0cde14eb-23
0.321