Molecular Properties | |
SMILES: | N#Cc1cnc(NCO)cc1CN1CCN(C(=O)CCl)CC1 |
MW: | 323.784 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.49 |
cLogP: | 0.19798 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
het-C-het not in ring
DAV-CRI-d1e0885a-2
0.818
MED-COV-4280ac29-35
0.625
DAR-DIA-fb20be43-4
0.506
PAU-UNI-52c0427f-1
0.506
BRU-LEF-ae0885ba-1
0.506
DAV-CRI-d1e0885a-5
0.474
DAR-DIA-fb20be43-1
0.463
DAR-DIA-fb20be43-3
0.457
DAR-DIA-fb20be43-5
0.457
TAM-UNI-d1c3dd9f-18
0.444
DAV-CRI-d1e0885a-1
0.434
TAM-UNI-d1c3dd9f-17
0.427
MAK-UNK-849bee6c-7
0.417
DRR-IMP-38dce17f-7
0.417
MAK-UNK-6ca90168-14
0.417
DAV-CRI-d1e0885a-4
0.415
DAR-DIA-fb20be43-17
0.413
MAK-UNK-10dfa458-38
0.409
MAK-UNK-849bee6c-1
0.409
MED-COV-4280ac29-24
0.405
DAV-CRI-d1e0885a-6
0.402
DAR-DIA-fb20be43-6
0.400
NEH-REV-107bcf72-5
0.400
MAK-UNK-849bee6c-2
0.398
MAT-POS-ee51dedd-1
0.397
SAD-SAT-bc31ec01-1
0.397
MAK-UNK-849bee6c-9
0.395
MAK-UNK-af83ef51-27
0.394
DRR-IMP-38dce17f-8
0.390
MAK-UNK-849bee6c-4
0.389
SEL-UNI-cd366922-6
0.388
MAK-UNK-7c9d1431-20
0.387
TAM-UNI-d1c3dd9f-16
0.386
MAK-UNK-849bee6c-21
0.385
MAK-UNK-849bee6c-5
0.385
MAK-UNK-849bee6c-23
0.384
MAK-UNK-849bee6c-14
0.382
MAK-UNK-849bee6c-22
0.381
MAK-UNK-849bee6c-25
0.381
SAD-SAT-65574d3f-10
0.380
MAK-UNK-10dfa458-43
0.379
DRR-IMP-38dce17f-5
0.378
DRR-IMP-38dce17f-6
0.375
PAU-UNI-8cdd41c7-1
0.375
MAK-UNK-af83ef51-22
0.375
MAK-UNK-849bee6c-16
0.374
MAK-UNK-849bee6c-12
0.374
DRR-IMP-38dce17f-4
0.373
MAK-UNK-849bee6c-18
0.372
TAM-UNI-d1c3dd9f-1
0.372
DAR-DIA-fb20be43-16
0.372
JOO-PER-58e158bd-1
0.372
STU-CHA-464c0256-1
0.371
TAM-UNI-d1c3dd9f-4
0.371
MAK-UNK-af83ef51-1
0.370
MAK-UNK-849bee6c-20
0.370
MAK-UNK-849bee6c-3
0.368
MAK-UNK-849bee6c-19
0.368
SAD-SAT-581007d4-2
0.368
MAK-UNK-849bee6c-26
0.366
DRR-IMP-38dce17f-3
0.366
MAK-UNK-7c9d1431-24
0.366
MIH-UNI-e573136b-5
0.366
JAN-GHE-fd8d85a5-1
0.366
MAK-UNK-af83ef51-32
0.364
MAK-UNK-7c9d1431-14
0.362
NEH-REV-107bcf72-3
0.361
MAK-UNK-7c9d1431-29
0.361
MAK-UNK-849bee6c-24
0.361
MED-COV-4280ac29-31
0.358
AAR-POS-d2a4d1df-40
0.358
SAD-SAT-581007d4-4
0.358
DAR-DIA-fb20be43-2
0.357
HYO-UNK-50298ba0-1
0.357
JOH-UNI-0e1753c1-3
0.355
HYO-UNK-49a60884-1
0.355
MED-COV-4280ac29-15
0.355
AAR-POS-d2a4d1df-35
0.355
MAK-UNK-849bee6c-6
0.355
MAK-UNK-849bee6c-17
0.354
DAR-DIA-fb20be43-18
0.354
MAK-UNK-10dfa458-44
0.354
MED-COV-4280ac29-37
0.353
DAR-DIA-fb20be43-8
0.353
PAU-UNI-19862c28-1
0.353
AAR-POS-d2a4d1df-24
0.351
SAD-SAT-581007d4-7
0.351
SAD-SAT-581007d4-1
0.351
MAT-POS-2db6411e-2
0.351
FAB-UNK-7ad5ab26-2
0.351
MAK-UNK-849bee6c-15
0.351
STE-UNK-13e151dd-1
0.349
STU-CHA-0f79177c-1
0.348
WAR-XCH-bdd24732-26
0.347
MAK-UNK-212f693e-8
0.347
AAR-POS-0daf6b7e-13
0.347
DRR-IMP-38dce17f-1
0.347
LON-WEI-8f408cad-7
0.347
DRR-IMP-38dce17f-2
0.346
MAK-UNK-6ca90168-9
0.346