Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2cccnc2)CCC1 |
MW: | 306.369 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 2.88092 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-6c45c019-5
0.938
CHR-SOS-6c45c019-2
0.909
CHR-SOS-6c45c019-11
0.905
CHR-SOS-6c45c019-9
0.729
CHR-SOS-6c45c019-6
0.685
CHR-SOS-6c45c019-3
0.667
CHR-SOS-6c45c019-12
0.653
CHR-SOS-6c45c019-7
0.632
CHR-SOS-6c45c019-15
0.603
CHR-SOS-6c45c019-4
0.595
CHR-SOS-6c45c019-1
0.580
CHR-SOS-6c45c019-14
0.568
CHR-SOS-6c45c019-10
0.564
CHR-SOS-6c45c019-13
0.554
CHR-SOS-6c45c019-16
0.537
WAR-XCH-e55cba98-9
0.506
CHR-SOS-1f323c23-7
0.494
CHR-SOS-1f323c23-4
0.469
CHR-SOS-1f323c23-10
0.468
CHR-SOS-1f323c23-1
0.458
CHR-SOS-1f323c23-8
0.444
CHR-SOS-1f323c23-9
0.437
CHR-SOS-1f323c23-6
0.425
CHR-SOS-1f323c23-5
0.424
CHR-SOS-1f323c23-11
0.422
DAR-DIA-0cde14eb-6
0.417
DAR-DIA-0cde14eb-7
0.417
CHR-SOS-1f323c23-2
0.415
CHR-SOS-1f323c23-12
0.414
CHR-SOS-1f323c23-3
0.407
MAT-POS-590ac91e-15
0.405
DAR-DIA-0cde14eb-5
0.405
ALE-HEI-f28a35b5-7
0.403
TRY-UNI-714a760b-11
0.403
TRY-UNI-714a760b-24
0.402
DAR-DIA-0cde14eb-8
0.400
TRY-UNI-714a760b-4
0.400
ALE-HEI-f28a35b5-1
0.400
CHR-SOS-363cfb78-7
0.398
MAT-POS-590ac91e-22
0.397
DAR-DIA-0cde14eb-69
0.395
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
DAR-DIA-0cde14eb-9
0.391
CHR-SOS-363cfb78-2
0.390
DAR-DIA-0cde14eb-66
0.388
ALE-HEI-f28a35b5-13
0.387
MAT-POS-590ac91e-5
0.385
MAT-POS-590ac91e-9
0.385
ASH-SAT-43770c7d-9
0.384
MAK-UNK-6ca90168-26
0.380
CHR-SOS-b301fc01-2
0.379
MAT-POS-590ac91e-27
0.378
DAR-DIA-0cde14eb-65
0.376
DAR-DIA-0cde14eb-68
0.376
MAT-POS-590ac91e-24
0.375
MAT-POS-590ac91e-26
0.375
DAR-DIA-0cde14eb-67
0.372
BEN-DND-6de5dfa0-6
0.372
MAT-POS-590ac91e-6
0.372
MAT-POS-590ac91e-21
0.370
JAG-UCB-cedd89ab-8
0.370
TRY-UNI-714a760b-12
0.370
MAT-POS-590ac91e-25
0.369
ERI-UCB-5b47150d-6
0.367
ALE-HEI-f28a35b5-2
0.367
MAK-UNK-129dcd6f-4
0.367
MAK-UNK-6ca90168-27
0.366
NAU-LAT-3f5f3993-2
0.366
MAT-POS-590ac91e-2
0.365
ERI-UCB-5b47150d-1
0.365
MAT-POS-590ac91e-1
0.365
DAR-DIA-0cde14eb-22
0.365
CHR-SOS-363cfb78-6
0.364
WAR-XCH-b0339bbe-14
0.363
MAT-POS-590ac91e-23
0.362
TRY-UNI-714a760b-10
0.362
ALE-HEI-f28a35b5-6
0.362
EDG-MED-0da5ad92-4
0.362
CHR-SOS-e960e883-6
0.362
MAT-POS-590ac91e-14
0.361
DAR-DIA-0cde14eb-21
0.361
DAR-DIA-0cde14eb-23
0.361
TRY-UNI-714a760b-5
0.359
DAR-DIA-0cde14eb-20
0.358
GAB-REV-70cc3ca5-13
0.357
MAT-POS-590ac91e-29
0.357
WAR-XCH-e55cba98-11
0.356
MAT-POS-13203bf4-1
0.356
ERI-UCB-5b47150d-4
0.355
MAT-POS-590ac91e-19
0.354
CHR-SOS-363cfb78-8
0.354
TRY-UNI-714a760b-16
0.354
MAT-POS-590ac91e-3
0.354
ALE-HEI-f28a35b5-11
0.354
TRY-UNI-714a760b-22
0.352
MAK-UNK-129dcd6f-12
0.352
SIM-DEM-f31d0e65-1
0.352
DAR-DIA-0cde14eb-11
0.352
DAR-DIA-0cde14eb-12
0.352