Molecular Properties | |
SMILES: | Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2ccc(NCC#N)cc2C#N)c1 |
MW: | 436.18 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 95.19 |
cLogP: | 3.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
cyanohydrin
N-C-Hal or cyano methyl
too many cyano Groups (>1)
cyanamide
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-22
0.883
MAK-UNK-849bee6c-18
0.797
MAK-UNK-849bee6c-24
0.768
MAK-UNK-849bee6c-19
0.744
MAK-UNK-10dfa458-13
0.690
MAK-UNK-10dfa458-44
0.690
MAK-UNK-10dfa458-19
0.604
MAK-UNK-849bee6c-1
0.600
MAK-UNK-849bee6c-20
0.596
MAK-UNK-849bee6c-2
0.554
MAK-UNK-849bee6c-21
0.537
MAK-UNK-849bee6c-22
0.531
MAK-UNK-849bee6c-23
0.531
MAK-UNK-849bee6c-25
0.515
MAK-UNK-849bee6c-26
0.510
TAM-UNI-d1c3dd9f-16
0.455
SAD-SAT-581007d4-2
0.444
MAK-UNK-af83ef51-17
0.440
MAK-UNK-6ca90168-14
0.420
DRR-IMP-38dce17f-7
0.420
SAD-SAT-581007d4-4
0.414
MED-COV-4280ac29-24
0.409
TAM-UNI-d1c3dd9f-18
0.398
MAK-UNK-849bee6c-4
0.394
DAR-DIA-fb20be43-3
0.394
AAR-POS-d2a4d1df-24
0.393
DAV-CRI-d1e0885a-4
0.387
MAT-POS-ee51dedd-1
0.386
DAV-CRI-d1e0885a-1
0.386
DAV-CRI-d1e0885a-2
0.385
PAU-UNI-8cdd41c7-1
0.383
MED-COV-4280ac29-33
0.382
DAV-CRI-d1e0885a-3
0.379
DAV-CRI-d1e0885a-5
0.376
DAV-CRI-d1e0885a-6
0.376
MAK-UNK-849bee6c-3
0.375
MAK-UNK-212f693e-8
0.373
AAR-POS-0daf6b7e-13
0.373
LON-WEI-8f408cad-7
0.373
TAM-UNI-d1c3dd9f-17
0.368
DRR-IMP-38dce17f-6
0.366
MAK-UNK-849bee6c-5
0.363
MAK-UNK-849bee6c-7
0.361
SAD-SAT-581007d4-1
0.360
MAT-POS-2db6411e-2
0.360
SAD-SAT-581007d4-7
0.360
JOK-SYG-18591e8f-1
0.360
MAK-UNK-af83ef51-27
0.358
MAK-UNK-7c9d1431-24
0.358
DRR-IMP-38dce17f-3
0.358
BRU-LEF-ae0885ba-1
0.358
PAU-UNI-52c0427f-1
0.358
DAR-DIA-fb20be43-4
0.358
MAK-UNK-cd94b63c-1
0.357
MAK-UNK-176ca439-3
0.357
DRR-IMP-38dce17f-2
0.356
MAK-UNK-7c9d1431-14
0.356
SAD-SAT-5b1897b2-5
0.356
MED-COV-4280ac29-35
0.354
MAK-UNK-7c9d1431-29
0.354
MAK-UNK-849bee6c-12
0.353
MAK-UNK-af83ef51-20
0.352
SAD-SAT-581007d4-3
0.352
MAK-UNK-af83ef51-21
0.351
MAK-UNK-849bee6c-6
0.350
MAK-UNK-e4a48a85-18
0.349
AAR-POS-d2a4d1df-35
0.349
MED-COV-4280ac29-15
0.349
JOH-UNI-27ac80fd-23
0.349
JOH-UNI-0e1753c1-3
0.349
MAR-LAB-ca4662a6-2
0.349
DRR-IMP-38dce17f-4
0.349
HYO-UNK-49a60884-1
0.349
AAR-POS-0daf6b7e-12
0.349
MAK-UNK-7c9d1431-21
0.348
SEL-UNI-cd366922-6
0.348
MAK-UNK-849bee6c-14
0.347
MAK-UNK-849bee6c-15
0.346
MAK-UNK-7c9d1431-20
0.345
MAK-UNK-849bee6c-9
0.343
MAK-UNK-10dfa458-38
0.343
SAD-SAT-5b1897b2-2
0.341
MAK-UNK-7c9d1431-18
0.340
JOH-UNI-27ac80fd-38
0.340
NEH-REV-107bcf72-3
0.340
MAK-UNK-e4a48a85-27
0.339
LON-WEI-8f408cad-5
0.337
AAR-POS-0daf6b7e-2
0.337
AAR-POS-0daf6b7e-17
0.337
MAR-TRE-6a44bbf2-12
0.337
DAR-DIA-fb20be43-5
0.337
FAB-UNK-7ad5ab26-2
0.333
MAK-UNK-af83ef51-1
0.333
JIA-UNI-93b03cae-1
0.330
MAK-UNK-849bee6c-8
0.327
MAK-UNK-849bee6c-16
0.327
DAR-DIA-fb20be43-1
0.327
JOH-UNI-27ac80fd-39
0.327
SAD-SAT-65574d3f-10
0.326
MAK-UNK-7c9d1431-16
0.326