Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cncc(C#N)c1Oc1ccccc1 |
MW: | 345.362 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 99.93 |
cLogP: | 4.093 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
CHR-SOS-363cfb78-8
0.724
CHR-SOS-363cfb78-3
0.667
CHR-SOS-363cfb78-6
0.659
CHR-SOS-363cfb78-4
0.494
ALE-HEI-f28a35b5-1
0.493
TRY-UNI-714a760b-4
0.493
CHR-SOS-1f323c23-10
0.463
CHR-SOS-363cfb78-2
0.456
CHR-SOS-1f323c23-7
0.451
TRY-UNI-714a760b-24
0.450
CHR-SOS-1f323c23-4
0.446
CHR-SOS-363cfb78-5
0.442
ASH-SAT-43770c7d-9
0.437
CHR-SOS-1f323c23-1
0.435
ALE-HEI-f28a35b5-13
0.419
DAR-DIA-0cde14eb-9
0.419
ALE-HEI-f28a35b5-2
0.416
TRY-UNI-1fd04853-2
0.407
DAR-DIA-0cde14eb-69
0.407
BEN-DND-93268d01-3
0.405
TRY-UNI-714a760b-12
0.400
JAG-UCB-cedd89ab-8
0.400
DAR-DIA-0cde14eb-5
0.400
CHR-SOS-6c45c019-8
0.398
TRY-UNI-714a760b-17
0.397
AHN-SAT-202241f6-1
0.397
DAR-DIA-0cde14eb-6
0.395
DAR-DIA-0cde14eb-7
0.395
DAR-DIA-0cde14eb-8
0.395
MAK-UNK-129dcd6f-15
0.395
ABI-SAT-4d06482b-1
0.392
CHR-SOS-6c45c019-11
0.391
MAT-POS-590ac91e-14
0.390
TRY-UNI-714a760b-5
0.390
CHR-SOS-6c45c019-5
0.389
DAR-DIA-0cde14eb-65
0.388
DAR-DIA-0cde14eb-68
0.388
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
DAR-DIA-0cde14eb-24
0.388
MAT-POS-590ac91e-26
0.388
CHR-SOS-6c45c019-9
0.386
BEN-DND-93268d01-2
0.386
TRY-UNI-bbd40bb4-6
0.385
TRY-UNI-1fd04853-3
0.383
MAK-UNK-129dcd6f-16
0.382
CHR-SOS-6c45c019-2
0.380
ALE-HEI-f28a35b5-7
0.380
TRY-UNI-714a760b-11
0.380
DAN-RED-da448e80-1
0.379
DRE-WAB-eb790b7a-1
0.379
SIM-DEM-f31d0e65-1
0.379
PED-UNI-8d53fd73-1
0.379
CHR-SOS-6c45c019-12
0.379
PED-UNI-5b7f1100-1
0.379
MAT-POS-590ac91e-2
0.378
ERI-UCB-5b47150d-1
0.378
MAT-POS-590ac91e-1
0.378
BEN-DND-93268d01-14
0.378
CHR-SOS-6c45c019-6
0.378
SAM-UNK-2684b532-8
0.374
CHR-SOS-6c45c019-7
0.374
CHR-SOS-6c45c019-3
0.370
ERI-UCB-5b47150d-4
0.368
DAR-DIA-0cde14eb-20
0.368
DAR-DIA-0cde14eb-66
0.368
DAR-DIA-0cde14eb-67
0.368
BEN-DND-09b88bf4-1
0.367
BEN-DND-6de5dfa0-2
0.367
CHR-SOS-6c45c019-10
0.367
MAT-POS-590ac91e-15
0.366
ALE-HEI-f28a35b5-11
0.366
CHR-SOS-6c45c019-4
0.366
TRY-UNI-714a760b-22
0.364
MAK-UNK-129dcd6f-4
0.363
NAU-LAT-3f5f3993-1
0.363
BEN-DND-93268d01-13
0.361
NAU-LAT-3f5f3993-2
0.361
MAK-UNK-6ca90168-27
0.361
DAR-DIA-0cde14eb-22
0.361
TRY-UNI-2eddb1ff-1
0.360
SAM-UNK-2684b532-2
0.360
MAK-UNK-129dcd6f-17
0.360
MAT-POS-5d20d11c-1
0.359
MAT-POS-590ac91e-16
0.359
MAK-UNK-129dcd6f-18
0.359
CHR-SOS-1f323c23-11
0.358
CHR-SOS-6c45c019-1
0.358
MAT-POS-590ac91e-27
0.357
DAR-DIA-0cde14eb-23
0.357
DAR-DIA-0cde14eb-21
0.357
TRY-UNI-714a760b-20
0.356
MAK-UNK-6ca90168-26
0.356
SAD-SAT-cefd50cc-10
0.356
BEN-DND-6de5dfa0-5
0.353
SAM-UNK-2684b532-10
0.351
TRY-UNI-bbd40bb4-5
0.351
CHR-SOS-1f323c23-8
0.351
MAT-POS-590ac91e-6
0.350
JOH-UNI-abfda500-6
0.349