Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2cncnc2)CCC1 |
MW: | 307.357 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 2.27592 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-6c45c019-6
0.937
CHR-SOS-6c45c019-3
0.908
CHR-SOS-6c45c019-12
0.903
CHR-SOS-6c45c019-8
0.729
CHR-SOS-6c45c019-5
0.685
CHR-SOS-6c45c019-2
0.667
CHR-SOS-6c45c019-11
0.653
CHR-SOS-6c45c019-7
0.618
CHR-SOS-6c45c019-15
0.610
CHR-SOS-6c45c019-4
0.582
CHR-SOS-6c45c019-14
0.575
CHR-SOS-6c45c019-1
0.568
CHR-SOS-6c45c019-13
0.561
CHR-SOS-6c45c019-10
0.551
CHR-SOS-6c45c019-16
0.544
CHR-SOS-1f323c23-7
0.500
CHR-SOS-1f323c23-4
0.475
CHR-SOS-1f323c23-10
0.474
CHR-SOS-1f323c23-1
0.463
CHR-SOS-1f323c23-9
0.459
CHR-SOS-1f323c23-6
0.447
WAR-XCH-e55cba98-9
0.439
CHR-SOS-1f323c23-12
0.435
CHR-SOS-1f323c23-8
0.433
MAT-POS-590ac91e-15
0.429
CHR-SOS-1f323c23-3
0.427
DAR-DIA-0cde14eb-69
0.417
CHR-SOS-1f323c23-5
0.413
CHR-SOS-363cfb78-2
0.412
CHR-SOS-1f323c23-11
0.411
DAR-DIA-0cde14eb-66
0.410
ASH-SAT-43770c7d-9
0.408
TRY-UNI-714a760b-11
0.408
ALE-HEI-f28a35b5-7
0.408
DAR-DIA-0cde14eb-6
0.405
DAR-DIA-0cde14eb-7
0.405
CHR-SOS-1f323c23-2
0.404
MAT-POS-590ac91e-22
0.403
AAR-POS-d2a4d1df-3
0.400
MAK-UNK-6435e6c2-8
0.400
DAR-DIA-0cde14eb-68
0.398
DAR-DIA-0cde14eb-65
0.398
MAT-POS-590ac91e-26
0.397
DAR-DIA-0cde14eb-9
0.395
BEN-DND-6de5dfa0-6
0.393
DAR-DIA-0cde14eb-5
0.393
DAR-DIA-0cde14eb-67
0.393
ALE-HEI-f28a35b5-13
0.392
TRY-UNI-714a760b-24
0.390
ALE-HEI-f28a35b5-2
0.390
DAR-DIA-0cde14eb-8
0.388
TRY-UNI-714a760b-4
0.387
ALE-HEI-f28a35b5-1
0.387
CHR-SOS-363cfb78-7
0.386
MAK-UNK-6ca90168-26
0.386
TRY-UNI-1fd04853-2
0.384
MAT-POS-590ac91e-27
0.383
MAT-POS-590ac91e-24
0.380
ERI-UCB-5b47150d-4
0.378
MAT-POS-590ac91e-6
0.377
MAT-POS-590ac91e-19
0.377
MAT-POS-590ac91e-21
0.375
MAT-POS-590ac91e-25
0.373
ERI-UCB-5b47150d-6
0.372
MAT-POS-590ac91e-5
0.372
MAT-POS-590ac91e-9
0.372
MAK-UNK-6ca90168-27
0.371
NAU-LAT-3f5f3993-2
0.370
ERI-UCB-5b47150d-1
0.370
MAT-POS-590ac91e-1
0.370
MAT-POS-590ac91e-2
0.370
DAR-DIA-0cde14eb-22
0.368
DAR-DIA-0cde14eb-24
0.367
ALE-HEI-f28a35b5-6
0.367
TRY-UNI-714a760b-10
0.367
BEN-DND-93268d01-11
0.367
EDG-MED-0da5ad92-4
0.367
MAT-POS-590ac91e-14
0.366
DAR-DIA-0cde14eb-21
0.365
JAN-GHE-83b26c96-11
0.364
DAR-DIA-0cde14eb-20
0.362
MAT-POS-590ac91e-29
0.361
EDG-MED-0da5ad92-9
0.361
TRY-UNI-714a760b-16
0.358
EDJ-MED-3c65e9ce-1
0.358
BEN-DND-93268d01-8
0.358
MAT-POS-590ac91e-3
0.358
JAG-UCB-cedd89ab-8
0.358
TRY-UNI-714a760b-12
0.358
ALE-HEI-f28a35b5-11
0.358
CHR-SOS-363cfb78-8
0.358
MAT-POS-590ac91e-11
0.355
MAT-POS-590ac91e-13
0.355
ALE-HEI-f28a35b5-12
0.355
TRY-UNI-2eddb1ff-1
0.353
MAT-POS-590ac91e-16
0.351
MAT-POS-5d20d11c-1
0.351
DAR-DIA-0cde14eb-23
0.351
MAT-POS-590ac91e-12
0.350
BEN-DND-09b88bf4-5
0.350