Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)CCCCC1 |
MW: | 334.423 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.66112 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
CHR-SOS-6c45c019-4
0.941
CHR-SOS-6c45c019-7
0.912
CHR-SOS-6c45c019-10
0.855
CHR-SOS-6c45c019-13
0.688
CHR-SOS-6c45c019-2
0.650
CHR-SOS-6c45c019-14
0.642
CHR-SOS-6c45c019-3
0.637
CHR-SOS-6c45c019-15
0.617
CHR-SOS-6c45c019-5
0.605
CHR-SOS-6c45c019-6
0.593
CHR-SOS-6c45c019-8
0.580
CHR-SOS-6c45c019-16
0.573
CHR-SOS-6c45c019-9
0.568
WAR-XCH-bdd24732-45
0.549
CHR-SOS-6c45c019-11
0.537
CHR-SOS-6c45c019-12
0.524
CHR-SOS-1f323c23-1
0.477
WAR-XCH-e55cba98-9
0.471
CHR-SOS-1f323c23-4
0.453
CHR-SOS-1f323c23-7
0.442
CHR-SOS-1f323c23-10
0.435
WAR-XCH-e55cba98-13
0.414
WAR-XCH-e55cba98-1
0.413
CHR-SOS-1f323c23-3
0.411
CHR-SOS-b301fc01-1
0.409
ALE-HEI-f28a35b5-7
0.407
TRY-UNI-714a760b-11
0.407
CHR-SOS-1f323c23-2
0.404
BEN-DND-93268d01-4
0.400
CHR-SOS-1f323c23-6
0.398
WAR-XCH-e55cba98-11
0.391
WAR-XCH-b0339bbe-13
0.391
DAR-DIA-0cde14eb-6
0.389
TRY-UNI-714a760b-4
0.388
ALE-HEI-f28a35b5-1
0.388
WAR-XCH-b0339bbe-17
0.385
CHR-SOS-1f323c23-5
0.384
CHR-SOS-1f323c23-9
0.379
DAR-DIA-0cde14eb-5
0.378
ALE-HEI-f28a35b5-13
0.375
CHR-SOS-1f323c23-8
0.374
DAR-DIA-0cde14eb-8
0.374
DAR-DIA-0cde14eb-7
0.374
CHR-SOS-1f323c23-12
0.372
THO-SYG-cc9e9a11-1
0.370
MAK-UNK-6ca90168-26
0.368
CHR-SOS-1f323c23-11
0.367
DAR-DIA-0cde14eb-9
0.366
THO-SYG-cc9e9a11-2
0.366
DAR-DIA-0cde14eb-66
0.363
MAK-UNK-6435e6c2-8
0.361
AAR-POS-d2a4d1df-3
0.361
MAT-POS-590ac91e-21
0.360
MAT-POS-590ac91e-15
0.360
CHR-SOS-363cfb78-7
0.358
MAT-POS-590ac91e-9
0.357
ASH-UNK-40b46b30-11
0.355
DAR-DIA-0cde14eb-69
0.355
ASH-SAT-43770c7d-9
0.354
MAT-POS-590ac91e-22
0.353
TRY-UNI-714a760b-10
0.353
ALE-HEI-f28a35b5-6
0.353
EDG-MED-0da5ad92-4
0.353
MAT-POS-590ac91e-27
0.352
DAR-DIA-0cde14eb-68
0.352
DAR-DIA-0cde14eb-65
0.352
DAR-DIA-0cde14eb-20
0.350
TRY-UNI-714a760b-5
0.349
MAT-POS-590ac91e-24
0.349
MAT-POS-590ac91e-26
0.349
MAT-POS-590ac91e-29
0.348
BEN-DND-93268d01-2
0.348
DAR-DIA-0cde14eb-67
0.348
MAT-POS-13203bf4-1
0.347
MAT-POS-590ac91e-6
0.345
TRY-UNI-714a760b-12
0.345
JAG-UCB-cedd89ab-8
0.345
TRY-UNI-714a760b-16
0.345
ALE-HEI-f28a35b5-11
0.345
MAT-POS-590ac91e-25
0.344
TRY-UNI-714a760b-24
0.344
DAR-DIA-0cde14eb-22
0.343
DAR-DIA-0cde14eb-24
0.343
MAT-POS-590ac91e-11
0.341
MAT-POS-590ac91e-5
0.341
TRY-UNI-714a760b-17
0.341
AHN-SAT-202241f6-1
0.341
ALE-HEI-f28a35b5-2
0.341
ERI-UCB-5b47150d-6
0.341
NAU-LAT-3f5f3993-2
0.341
SAM-UNK-2684b532-8
0.340
CHR-SOS-e960e883-4
0.340
DAR-DIA-0cde14eb-21
0.340
DAR-DIA-0cde14eb-23
0.340
MAK-UNK-6ca90168-27
0.338
MAT-POS-590ac91e-2
0.338
ERI-UCB-5b47150d-1
0.338
MAT-POS-590ac91e-1
0.338
MAT-POS-5d20d11c-1
0.337
MAT-POS-590ac91e-16
0.337