Molecular Properties | |
SMILES: | O=C(CCl)N1CCN([C@@H](c2cccc3ccccc23)N2CCCOCC2)CC1 |
MW: | 401.938 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.02 |
cLogP: | 2.9437 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Methylendiamines (1)
acyclic N-C-N
MIH-UNI-e573136b-6
0.523
MAK-UNK-6ca90168-1
0.398
MED-COV-4280ac29-31
0.372
AAR-POS-d2a4d1df-40
0.372
DRR-IMP-db50bf6e-4
0.368
SEL-UNI-cd366922-5
0.360
AAR-POS-d2a4d1df-39
0.354
PAU-WEI-3e86dfd8-1
0.354
MED-COV-4280ac29-5
0.347
STE-KUL-2e0d2e88-2
0.344
DAR-DIA-fb20be43-2
0.341
SIM-SYN-f15aaa3a-1
0.338
JOH-UNI-27ac80fd-4
0.337
DRR-IMP-db50bf6e-2
0.337
GIA-UNK-7337c2f3-15
0.330
PAU-UNI-b2b6b158-1
0.330
GIA-UNK-20b63697-2
0.330
DAR-DIA-3e9bbd81-15
0.327
DAR-DIA-fb20be43-7
0.326
GIA-UNK-7337c2f3-6
0.326
MAK-UNK-e05327b2-8
0.324
DAR-DIA-fb20be43-8
0.323
PAU-UNI-19862c28-1
0.323
MIH-UNI-e573136b-7
0.319
GIA-UNK-7337c2f3-9
0.319
TAM-UNI-d1c3dd9f-12
0.316
DAR-DIA-3e9bbd81-16
0.314
MAK-UNK-c74072e5-2
0.314
GIA-UNK-7337c2f3-3
0.311
GIA-UNK-4de5abb1-1
0.311
MAK-UNK-f983951f-21
0.310
DAR-DIA-fb20be43-6
0.309
NIR-THE-99f25457-1
0.309
MED-COV-4280ac29-9
0.308
AAR-POS-d2a4d1df-29
0.305
MAR-TRE-6a44bbf2-61
0.305
GIA-UNK-7337c2f3-12
0.304
GIA-UNK-7337c2f3-1
0.303
MAR-TRE-6a44bbf2-92
0.302
MED-COV-4280ac29-6
0.302
GIA-UNK-7337c2f3-4
0.300
GIA-UNK-7337c2f3-7
0.300
GIA-UNK-20b63697-7
0.299
GIA-UNK-20b63697-6
0.297
GIA-UNK-7337c2f3-10
0.297
MAK-UNK-987948f6-2
0.296
MAK-UNK-6ca90168-15
0.294
LON-WEI-8f408cad-5
0.294
AAR-POS-0daf6b7e-17
0.294
GIA-UNK-7337c2f3-2
0.293
MAK-UNK-6ca90168-8
0.293
DAR-DIA-3e9bbd81-12
0.293
MAK-UNK-af83ef51-2
0.292
DAR-DIA-3e9bbd81-11
0.292
GIA-UNK-7337c2f3-13
0.292
MED-COV-4280ac29-21
0.291
MAK-UNK-6ca90168-7
0.290
DRR-IMP-dff87f5e-2
0.290
MAK-UNK-7c9d1431-3
0.290
GIA-UNK-7337c2f3-5
0.290
GIA-UNK-7337c2f3-8
0.290
DRR-IMP-db50bf6e-1
0.289
GIA-UNK-20b63697-1
0.289
MED-COV-4280ac29-29
0.289
JOK-SYG-18591e8f-1
0.289
SWA-SYN-d2e6fa14-1
0.287
AAR-POS-d2a4d1df-24
0.287
SWA-SYN-6423ea73-1
0.287
MAT-POS-ee51dedd-1
0.286
JOH-UNI-27ac80fd-25
0.286
AAR-POS-0daf6b7e-16
0.286
MAK-UNK-10dfa458-39
0.286
GIA-UNK-20b63697-9
0.286
WAR-XCH-b0339bbe-19
0.283
MIH-UNI-e573136b-4
0.283
DRR-IMP-dff87f5e-4
0.282
AHN-SAT-de2502ba-7
0.282
DRR-IMP-38dce17f-1
0.282
GIA-UNK-4de5abb1-5
0.281
GIA-UNK-7337c2f3-11
0.281
GIA-UNK-4de5abb1-4
0.281
DRR-IMP-dff87f5e-5
0.281
MAR-TRE-6a44bbf2-77
0.281
AAR-POS-d2a4d1df-34
0.281
MAR-TRE-6a44bbf2-8
0.281
MAK-UNK-7c9d1431-24
0.280
DRR-IMP-38dce17f-3
0.280
TAM-UNI-d1c3dd9f-21
0.280
SEL-UNI-cd366922-2
0.280
MAK-UNK-7c9d1431-28
0.279
NEH-REV-107bcf72-2
0.277
DRR-IMP-db50bf6e-3
0.277
MED-COV-4280ac29-18
0.277
JOH-UNI-27ac80fd-8
0.277
AHN-SAT-de2502ba-1
0.277
AAR-POS-d2a4d1df-35
0.276
PAU-WEI-b9b69149-7
0.276
DRR-IMP-38dce17f-4
0.276
MED-COV-4280ac29-15
0.276
JOH-UNI-0e1753c1-3
0.276