Molecular Properties | |
SMILES: | CCNc1cc(CN2CCN(C(=O)CCl)CC2)c(C#N)cn1 |
MW: | 321.812 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.26 |
cLogP: | 1.26808 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-d1e0885a-3
0.818
MED-COV-4280ac29-35
0.587
BRU-LEF-ae0885ba-1
0.573
PAU-UNI-52c0427f-1
0.573
DAR-DIA-fb20be43-4
0.573
DAR-DIA-fb20be43-1
0.526
DAR-DIA-fb20be43-5
0.519
DAR-DIA-fb20be43-3
0.519
DAV-CRI-d1e0885a-4
0.475
MED-COV-4280ac29-24
0.463
MAK-UNK-af83ef51-27
0.462
MAK-UNK-849bee6c-21
0.452
TAM-UNI-d1c3dd9f-18
0.451
SEL-UNI-cd366922-6
0.449
MAK-UNK-849bee6c-22
0.447
TAM-UNI-d1c3dd9f-17
0.434
MAK-UNK-849bee6c-20
0.433
MAK-UNK-849bee6c-23
0.433
MAK-UNK-af83ef51-22
0.426
JAN-GHE-fd8d85a5-1
0.425
DAV-CRI-d1e0885a-1
0.423
DAV-CRI-d1e0885a-5
0.410
DAV-CRI-d1e0885a-6
0.410
MAK-UNK-849bee6c-7
0.407
DAR-DIA-fb20be43-6
0.407
MAK-UNK-6ca90168-14
0.405
DRR-IMP-38dce17f-7
0.405
MAK-UNK-849bee6c-2
0.404
DAR-DIA-fb20be43-17
0.404
MAK-UNK-10dfa458-44
0.402
MAK-UNK-849bee6c-26
0.400
MAK-UNK-10dfa458-38
0.400
MAK-UNK-849bee6c-1
0.400
MAK-UNK-af83ef51-29
0.398
DRR-IMP-38dce17f-8
0.398
MAK-UNK-849bee6c-4
0.396
MAK-UNK-7c9d1431-20
0.395
TAM-UNI-d1c3dd9f-16
0.393
NEH-REV-107bcf72-5
0.390
MAK-UNK-849bee6c-14
0.389
MAK-UNK-849bee6c-25
0.388
SAD-SAT-65574d3f-10
0.388
MAT-POS-ee51dedd-1
0.388
SAD-SAT-bc31ec01-1
0.387
MAK-UNK-849bee6c-9
0.386
NIR-THE-0d6461ce-7
0.386
MAK-UNK-10dfa458-43
0.385
MAK-UNK-af83ef51-31
0.380
MAK-UNK-849bee6c-18
0.379
DAR-DIA-fb20be43-16
0.379
TAM-UNI-d1c3dd9f-1
0.379
TAM-UNI-d1c3dd9f-4
0.378
SAD-SAT-581007d4-2
0.377
MAK-UNK-849bee6c-5
0.376
MAK-UNK-849bee6c-19
0.375
JAN-GHE-fd8d85a5-6
0.375
NIR-THE-0d6461ce-6
0.371
KIM-UNI-7d12df64-2
0.369
DRR-IMP-38dce17f-5
0.368
MAK-UNK-849bee6c-24
0.367
SAD-SAT-581007d4-4
0.366
MAK-UNK-849bee6c-12
0.366
MAK-UNK-849bee6c-16
0.366
MAK-UNK-af83ef51-28
0.365
DRR-IMP-38dce17f-6
0.365
PAU-UNI-8cdd41c7-1
0.365
MED-COV-4280ac29-34
0.364
DRR-IMP-38dce17f-4
0.364
JOO-PER-58e158bd-1
0.364
DAR-DIA-fb20be43-7
0.364
STU-CHA-464c0256-1
0.363
MAK-UNK-af83ef51-1
0.361
DAR-DIA-fb20be43-18
0.361
MAK-UNK-849bee6c-3
0.361
MED-COV-4280ac29-37
0.360
AAR-POS-d2a4d1df-24
0.359
MAK-UNK-849bee6c-15
0.357
MIH-UNI-e573136b-5
0.357
MAK-UNK-af83ef51-30
0.357
MAK-UNK-af83ef51-32
0.356
STE-UNK-13e151dd-1
0.356
DRR-IMP-38dce17f-3
0.356
MAK-UNK-7c9d1431-24
0.356
SAD-SAT-5b1897b2-2
0.354
MAK-UNK-6ca90168-9
0.354
MAK-UNK-7c9d1431-16
0.354
MAK-UNK-7c9d1431-14
0.354
MAR-TRE-6a44bbf2-54
0.354
NEH-REV-107bcf72-3
0.353
MAK-UNK-7c9d1431-29
0.351
MAK-UNK-10dfa458-19
0.350
MAK-UNK-af83ef51-20
0.350
MAK-UNK-af83ef51-24
0.350
MAK-UNK-af83ef51-23
0.350
MED-COV-4280ac29-31
0.349
AAR-POS-d2a4d1df-40
0.349
DAR-DIA-fb20be43-2
0.349
HYO-UNK-50298ba0-1
0.349
MAK-UNK-849bee6c-6
0.347
MAR-LAB-ca4662a6-2
0.346