Molecular Properties | |
SMILES: | N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1 |
MW: | 277.1 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 47.34 |
cLogP: | 1.44 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1562119644 |
MAK-UNK-6ca90168-14
1.000
MAK-UNK-7c9d1431-29
0.640
MAT-POS-ee51dedd-1
0.603
MAK-UNK-7c9d1431-24
0.588
DRR-IMP-38dce17f-3
0.588
JIA-UNI-93b03cae-1
0.571
DRR-IMP-38dce17f-6
0.566
MAK-UNK-987948f6-3
0.564
SWA-SYN-d2e6fa14-7
0.559
SWA-SYN-6423ea73-7
0.559
TAM-UNI-d1c3dd9f-16
0.547
LON-WEI-8f408cad-7
0.518
MAK-UNK-212f693e-8
0.518
AAR-POS-0daf6b7e-13
0.518
MAK-UNK-7c9d1431-21
0.517
PAU-UNI-8cdd41c7-1
0.509
TAM-UNI-d1c3dd9f-17
0.507
TAM-UNI-d1c3dd9f-18
0.507
HYO-UNK-49a60884-1
0.500
DRR-IMP-38dce17f-4
0.500
DAV-CRI-d1e0885a-1
0.500
DAR-DIA-fb20be43-3
0.500
AAR-POS-d2a4d1df-35
0.500
MED-COV-4280ac29-15
0.500
JOH-UNI-0e1753c1-3
0.500
DRR-IMP-dff87f5e-9
0.500
FAB-UNK-7ad5ab26-2
0.494
DAR-DIA-fb20be43-6
0.493
AAR-POS-d2a4d1df-24
0.492
MAK-UNK-849bee6c-9
0.486
DRR-IMP-38dce17f-2
0.483
MAK-UNK-7c9d1431-14
0.476
MAR-TRE-6a44bbf2-54
0.476
MAK-UNK-7c9d1431-16
0.476
SAD-SAT-5b1897b2-5
0.476
MAK-UNK-849bee6c-7
0.471
BRU-LEF-ae0885ba-1
0.471
PAU-UNI-52c0427f-1
0.471
DAR-DIA-fb20be43-4
0.471
SAD-SAT-581007d4-1
0.467
SAD-SAT-581007d4-7
0.467
MAT-POS-2db6411e-2
0.467
SAD-SAT-581007d4-2
0.467
DRR-IMP-38dce17f-1
0.466
JOK-SYG-18591e8f-1
0.460
DRR-IMP-38dce17f-5
0.458
AAR-POS-0daf6b7e-17
0.458
AAR-POS-0daf6b7e-2
0.458
MAK-UNK-7c9d1431-28
0.458
LON-WEI-8f408cad-5
0.458
MAK-UNK-10dfa458-44
0.457
MAK-UNK-849bee6c-12
0.453
AAR-POS-0daf6b7e-12
0.450
JOH-UNI-27ac80fd-23
0.450
MAR-LAB-ca4662a6-2
0.450
MAK-UNK-7c9d1431-18
0.448
MAK-UNK-849bee6c-14
0.446
MAK-UNK-7c9d1431-20
0.443
MAK-UNK-af83ef51-1
0.439
MED-COV-4280ac29-24
0.437
NEH-REV-107bcf72-5
0.435
DAV-CRI-d1e0885a-6
0.435
DAV-CRI-d1e0885a-5
0.435
MAK-UNK-849bee6c-4
0.434
MAK-UNK-849bee6c-16
0.434
SAD-SAT-bc31ec01-1
0.433
DAR-DIA-fb20be43-16
0.430
TAM-UNI-d1c3dd9f-1
0.430
MAK-UNK-849bee6c-18
0.430
LON-WEI-4d77710c-32
0.429
LON-WEI-5e7d1b3e-32
0.429
SEL-UNI-cd366922-7
0.429
DAV-CRI-d1e0885a-4
0.429
MAK-UNK-849bee6c-6
0.429
MAK-UNK-849bee6c-5
0.429
SAD-SAT-581007d4-4
0.424
MED-COV-4280ac29-33
0.424
SAD-SAT-581007d4-3
0.424
MED-COV-4280ac29-35
0.423
AHN-SAT-de2502ba-15
0.422
MAK-UNK-10dfa458-38
0.421
STE-KUL-2e0d2e88-7
0.420
MAK-UNK-10dfa458-43
0.420
DAV-CRI-d1e0885a-3
0.417
TOB-UNK-c2aba166-1
0.415
MAK-UNK-849bee6c-24
0.415
MAK-UNK-af83ef51-22
0.415
SAD-SAT-5b1897b2-2
0.413
ASH-SAT-43770c7d-5
0.413
MAK-UNK-849bee6c-8
0.412
VIK-SYN-9a3d118a-8
0.412
MAK-UNK-f983951f-23
0.411
SAD-SAT-1b030f84-9
0.409
FAB-UNK-7ad5ab26-1
0.408
FAB-UNK-03d90bbc-1
0.408
FAB-NA_-a03f4448-1
0.408
MAK-UNK-849bee6c-2
0.407
MAK-UNK-849bee6c-19
0.407
MAK-UNK-849bee6c-3
0.407
MAK-UNK-849bee6c-13
0.407