Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cncc(C#N)c1Oc1cccc(S(N)(=O)=O)c1 |
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-363cfb78-8
0.723
CHR-SOS-363cfb78-5
0.713
CHR-SOS-363cfb78-7
0.659
CHR-SOS-1f323c23-11
0.533
CHR-SOS-1f323c23-8
0.521
CHR-SOS-1f323c23-5
0.516
CHR-SOS-363cfb78-4
0.510
CHR-SOS-1f323c23-2
0.505
CHR-SOS-363cfb78-3
0.442
EDJ-MED-e58735b6-3
0.424
TRY-UNI-714a760b-24
0.422
CHR-SOS-363cfb78-2
0.411
TRY-UNI-1fd04853-3
0.406
CHR-SOS-1f323c23-12
0.402
CHR-SOS-e960e883-5
0.402
CHR-SOS-e960e883-6
0.396
DAR-DIA-0cde14eb-9
0.396
CHR-SOS-1f323c23-9
0.394
ALE-HEI-f28a35b5-2
0.391
ASH-SAT-43770c7d-9
0.390
TRY-UNI-1fd04853-2
0.385
CHR-SOS-1f323c23-3
0.382
CHR-SOS-e960e883-4
0.381
DAR-DIA-0cde14eb-5
0.379
TRY-UNI-714a760b-12
0.378
JAG-UCB-cedd89ab-8
0.378
DAR-DIA-0cde14eb-8
0.375
PED-UNI-292b67d6-1
0.375
DAR-DIA-0cde14eb-6
0.375
DAR-DIA-0cde14eb-7
0.375
TRY-UNI-714a760b-4
0.372
ALE-HEI-f28a35b5-1
0.372
DAR-DIA-0cde14eb-24
0.370
CHR-SOS-6c45c019-5
0.370
CHR-SOS-6c45c019-8
0.364
HAR-NEW-e34cb1ae-4
0.360
GAB-REV-70cc3ca5-20
0.359
CHR-SOS-7098f804-17
0.358
DAR-DIA-0cde14eb-69
0.357
CHR-SOS-6c45c019-11
0.357
ASH-UNK-40b46b30-10
0.356
PET-SGC-05cff2e1-1
0.355
MIH-UNI-6b9ca91a-3
0.352
GAB-REV-70cc3ca5-3
0.351
CHR-SOS-6c45c019-2
0.350
CHR-SOS-7098f804-22
0.349
TRY-UNI-714a760b-22
0.347
SIM-DEM-f31d0e65-1
0.347
PET-SGC-83d43576-1
0.347
CHR-SOS-6c45c019-6
0.347
ALE-HEI-f28a35b5-13
0.345
CHR-SOS-1f323c23-10
0.344
RAL-THA-6b94ceba-13
0.343
CHR-SOS-1f323c23-6
0.343
PET-SGC-d0fd10df-1
0.343
MAT-POS-590ac91e-14
0.340
TRY-UNI-714a760b-20
0.340
DAR-DIA-0cde14eb-68
0.340
DAR-DIA-0cde14eb-65
0.340
SAD-SAT-cefd50cc-10
0.340
CHR-SOS-6c45c019-9
0.340
MAT-POS-590ac91e-26
0.337
CHR-SOS-1f323c23-7
0.337
CHR-SOS-1f323c23-4
0.333
CHR-SOS-6c45c019-12
0.333
CHR-SOS-70e4c98a-4
0.330
CHR-SOS-70e4c98a-7
0.330
SAM-UNK-2684b532-8
0.330
BAR-COM-0f94fc3d-58
0.330
TRY-UNI-2eddb1ff-1
0.330
NAU-LAT-3f5f3993-2
0.330
MAK-UNK-6ca90168-24
0.330
ALE-HEI-f28a35b5-7
0.330
TRY-UNI-714a760b-11
0.330
MAK-UNK-6435e6c2-8
0.329
AAR-POS-d2a4d1df-3
0.329
DAR-DIA-0cde14eb-20
0.327
CHR-SOS-6c45c019-3
0.327
TRY-UNI-bbd40bb4-6
0.327
CHR-SOS-1f323c23-1
0.327
MAK-UNK-129dcd6f-9
0.327
BAR-COM-0f94fc3d-19
0.327
ERI-UCB-5b47150d-1
0.326
MAT-POS-590ac91e-1
0.326
MAT-POS-590ac91e-2
0.326
THO-SYG-cc9e9a11-4
0.324
DAR-DIA-0cde14eb-15
0.324
CHR-SOS-70e4c98a-9
0.324
CHR-SOS-6c45c019-4
0.324
MAK-UNK-129dcd6f-16
0.324
GAB-REV-70cc3ca5-19
0.324
DAR-DIA-0cde14eb-66
0.323
DAR-DIA-0cde14eb-67
0.323
MAK-UNK-f203cb68-18
0.323
DAR-DIA-0cde14eb-22
0.321
DAN-RED-da448e80-13
0.320
MAK-UNK-129dcd6f-4
0.320
ANN-UNI-98d2bf15-5
0.320
ALP-POS-95b75b4d-4
0.320
PED-UNI-5b7f1100-1
0.320