Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(C#Cc2cn(C)cn2)CC1 |
MW: | 295.346 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.84 |
cLogP: | 1.82932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-10 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
triple bond
MAT-POS-13203bf4-1
CHR-SOS-6c45c019-15
0.909
CHR-SOS-6c45c019-14
0.882
CHR-SOS-6c45c019-13
0.857
CHR-SOS-6c45c019-10
0.662
MAT-POS-13203bf4-1
0.618
CHR-SOS-6c45c019-7
0.603
CHR-SOS-6c45c019-12
0.600
CHR-SOS-6c45c019-11
0.592
CHR-SOS-6c45c019-4
0.588
CHR-SOS-6c45c019-1
0.573
CHR-SOS-6c45c019-9
0.544
CHR-SOS-6c45c019-8
0.537
CHR-SOS-6c45c019-6
0.531
CHR-SOS-6c45c019-5
0.524
CHR-SOS-6c45c019-3
0.518
CHR-SOS-6c45c019-2
0.512
CHR-SOS-1f323c23-10
0.427
CHR-SOS-1f323c23-1
0.419
CHR-SOS-1f323c23-7
0.417
CHR-SOS-1f323c23-4
0.412
WAR-XCH-e55cba98-9
0.412
DAR-DIA-0cde14eb-8
0.412
DAR-DIA-0cde14eb-69
0.407
DAR-DIA-0cde14eb-65
0.405
DAR-DIA-0cde14eb-68
0.405
DAR-DIA-0cde14eb-66
0.400
DAR-DIA-0cde14eb-5
0.400
DAR-DIA-0cde14eb-67
0.400
ALE-HEI-f28a35b5-7
0.397
TRY-UNI-714a760b-11
0.397
DAR-DIA-0cde14eb-6
0.395
DAR-DIA-0cde14eb-7
0.395
CHR-SOS-1f323c23-12
0.393
CHR-SOS-1f323c23-6
0.389
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
CHR-SOS-b301fc01-4
0.387
CHR-SOS-1f323c23-3
0.387
DAR-DIA-0cde14eb-9
0.386
MAT-POS-02ae579f-2
0.386
CHR-SOS-1f323c23-9
0.385
MAT-POS-590ac91e-21
0.383
ALE-HEI-f28a35b5-13
0.382
MAT-POS-590ac91e-1
0.378
ERI-UCB-5b47150d-1
0.378
MAT-POS-590ac91e-2
0.378
ASH-SAT-43770c7d-9
0.378
NAU-LAT-3f5f3993-2
0.378
ALE-HEI-f28a35b5-1
0.377
TRY-UNI-714a760b-4
0.377
MAK-UNK-6ca90168-26
0.375
MAT-POS-590ac91e-27
0.373
CHR-SOS-1f323c23-11
0.372
SCO-VAN-260d9628-1
0.372
ALE-HEI-f28a35b5-17
0.372
MAT-POS-590ac91e-26
0.370
CHR-SOS-1f323c23-2
0.367
MAT-POS-590ac91e-6
0.367
TRY-UNI-714a760b-12
0.366
JAG-UCB-cedd89ab-8
0.366
MAT-POS-590ac91e-15
0.366
MAT-POS-590ac91e-3
0.366
TRY-UNI-714a760b-24
0.365
CHR-SOS-1f323c23-8
0.365
MAT-POS-590ac91e-11
0.364
ALE-HEI-f28a35b5-2
0.362
MAT-POS-590ac91e-9
0.362
MAT-POS-590ac91e-5
0.362
MAK-UNK-6ca90168-27
0.361
CHR-SOS-1f323c23-5
0.361
DAR-DIA-0cde14eb-70
0.360
BEN-DND-93268d01-9
0.358
BEN-DND-09b88bf4-5
0.358
MAT-POS-590ac91e-22
0.358
DAR-DIA-0cde14eb-73
0.356
DAR-DIA-0cde14eb-72
0.356
DAR-DIA-0cde14eb-75
0.355
BEN-DND-93268d01-10
0.354
MAT-POS-590ac91e-24
0.354
CHR-SOS-363cfb78-2
0.353
MAT-POS-590ac91e-29
0.353
DAR-DIA-0cde14eb-71
0.352
ERI-UCB-5b47150d-4
0.351
ALE-HEI-f28a35b5-11
0.349
BEN-DND-6de5dfa0-10
0.349
TRY-UNI-714a760b-16
0.349
MAT-POS-590ac91e-8
0.349
BEN-DND-93268d01-8
0.349
EDJ-MED-3c65e9ce-1
0.349
MAT-POS-590ac91e-25
0.349
DAR-DIA-0cde14eb-61
0.348
DAR-DIA-0cde14eb-64
0.348
DAR-DIA-0cde14eb-74
0.348
DAR-DIA-0cde14eb-24
0.347
MAT-POS-590ac91e-13
0.346
ALE-HEI-f28a35b5-12
0.346
AHN-SAT-202241f6-1
0.346
TRY-UNI-714a760b-17
0.346
MAT-POS-590ac91e-7
0.346
ERI-UCB-5b47150d-6
0.346