Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2cncnc2)CCCCC1 |
MW: | 335.411 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 3.05612 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-6c45c019-6
0.938
CHR-SOS-6c45c019-9
0.908
CHR-SOS-6c45c019-12
0.848
CHR-SOS-6c45c019-2
0.743
CHR-SOS-6c45c019-5
0.693
CHR-SOS-6c45c019-8
0.667
CHR-SOS-6c45c019-1
0.637
CHR-SOS-6c45c019-13
0.630
CHR-SOS-6c45c019-11
0.618
CHR-SOS-6c45c019-4
0.593
CHR-SOS-6c45c019-14
0.585
CHR-SOS-6c45c019-7
0.568
CHR-SOS-6c45c019-15
0.561
CHR-SOS-6c45c019-10
0.524
CHR-SOS-6c45c019-16
0.518
CHR-SOS-1f323c23-1
0.494
CHR-SOS-1f323c23-4
0.470
WAR-XCH-e55cba98-9
0.470
CHR-SOS-1f323c23-7
0.458
CHR-SOS-1f323c23-3
0.456
CHR-SOS-1f323c23-10
0.451
CHR-SOS-1f323c23-6
0.443
CHR-SOS-1f323c23-2
0.432
CHR-SOS-1f323c23-9
0.422
CHR-SOS-1f323c23-12
0.416
CHR-SOS-1f323c23-5
0.411
ALE-HEI-f28a35b5-7
0.405
TRY-UNI-714a760b-11
0.405
CHR-SOS-1f323c23-8
0.400
DAR-DIA-0cde14eb-69
0.398
CHR-SOS-1f323c23-11
0.394
CHR-SOS-363cfb78-2
0.393
DAR-DIA-0cde14eb-66
0.391
MAT-POS-590ac91e-15
0.390
ASH-SAT-43770c7d-9
0.387
DAR-DIA-0cde14eb-6
0.386
DAR-DIA-0cde14eb-7
0.386
DAR-DIA-0cde14eb-65
0.379
DAR-DIA-0cde14eb-68
0.379
MAT-POS-590ac91e-26
0.378
DAR-DIA-0cde14eb-9
0.378
MAK-UNK-6435e6c2-8
0.377
AAR-POS-d2a4d1df-3
0.377
DAR-DIA-0cde14eb-5
0.375
BEN-DND-6de5dfa0-6
0.375
DAR-DIA-0cde14eb-67
0.375
WAR-XCH-e55cba98-11
0.374
TRY-UNI-714a760b-24
0.372
ALE-HEI-f28a35b5-13
0.372
DAR-DIA-0cde14eb-8
0.371
ALE-HEI-f28a35b5-2
0.370
CHR-SOS-363cfb78-7
0.370
DAR-DIA-0cde14eb-22
0.367
TRY-UNI-714a760b-4
0.367
ALE-HEI-f28a35b5-1
0.367
TRY-UNI-1fd04853-2
0.367
ASH-UNK-40b46b30-11
0.367
DAR-DIA-0cde14eb-24
0.366
ALE-HEI-f28a35b5-6
0.366
TRY-UNI-714a760b-10
0.366
EDG-MED-0da5ad92-4
0.366
MAT-POS-590ac91e-22
0.366
BEN-DND-93268d01-11
0.366
MAK-UNK-6ca90168-26
0.365
MAT-POS-590ac91e-27
0.365
DAR-DIA-0cde14eb-21
0.364
MAT-POS-590ac91e-24
0.361
DAR-DIA-0cde14eb-20
0.361
ERI-UCB-5b47150d-4
0.359
MAT-POS-590ac91e-6
0.358
MAT-POS-590ac91e-19
0.358
TRY-UNI-714a760b-16
0.357
MAT-POS-590ac91e-21
0.357
MAT-POS-590ac91e-25
0.356
MAT-POS-590ac91e-5
0.354
MAT-POS-590ac91e-9
0.354
ERI-UCB-5b47150d-6
0.354
NAU-LAT-3f5f3993-2
0.353
MAK-UNK-6ca90168-27
0.351
MAT-POS-590ac91e-1
0.351
MAT-POS-590ac91e-2
0.351
ERI-UCB-5b47150d-1
0.351
DAR-DIA-0cde14eb-23
0.350
MAT-POS-590ac91e-14
0.349
BEN-DND-22e6b372-4
0.349
JAN-GHE-83b26c96-11
0.346
MAT-POS-590ac91e-29
0.345
EDG-MED-0da5ad92-9
0.345
DAR-DIA-0cde14eb-71
0.344
CHR-SOS-363cfb78-8
0.343
JAG-UCB-cedd89ab-8
0.341
ALE-HEI-f28a35b5-11
0.341
MAT-POS-590ac91e-3
0.341
TRY-UNI-714a760b-12
0.341
EDJ-MED-3c65e9ce-1
0.341
BEN-DND-93268d01-8
0.341
BEN-DND-22e6b372-3
0.341
WAR-XCH-bdd24732-45
0.340
ALE-HEI-f28a35b5-12
0.338
MAT-POS-590ac91e-13
0.338