Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)c2ccc(COc3ccc(N4CCN(C(=O)CCl)CC4)cc3)cc2)CC1 |
MW: | 532.16 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 73.4 |
cLogP: | 2.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
p-Alkoxy-N,N-dialkyl anilines
anil_di_alk_C(246)
AAR-POS-0daf6b7e-18
0.522
DRR-IMP-db50bf6e-1
0.493
MAT-POS-162a9720-4
0.478
DRR-IMP-db50bf6e-3
0.478
MAK-UNK-987948f6-3
0.471
AHN-SAT-de2502ba-8
0.471
AAR-POS-d2a4d1df-25
0.471
MAK-UNK-987948f6-2
0.441
MAT-POS-162a9720-5
0.431
MAK-UNK-6ca90168-20
0.429
MAK-UNK-6ca90168-15
0.392
ASH-SAT-43770c7d-10
0.392
SAD-SAT-3a925b8b-5
0.389
DRR-IMP-db50bf6e-2
0.385
SAD-SAT-65574d3f-9
0.378
SAD-SAT-581007d4-5
0.368
MAK-UNK-acefcb18-20
0.366
SAD-SAT-5b1897b2-3
0.360
SAD-SAT-5b1897b2-4
0.355
MAR-TRE-6a44bbf2-61
0.351
AAR-POS-d2a4d1df-29
0.351
MAT-POS-162a9720-2
0.350
NIL-NON-a189c016-1
0.350
SAD-SAT-1b030f84-5
0.347
SAD-SAT-3a925b8b-1
0.347
SWA-SYN-d2e6fa14-7
0.346
SWA-SYN-6423ea73-7
0.346
SAD-SAT-3a925b8b-4
0.333
SAD-SAT-581007d4-6
0.329
JIA-UNI-93b03cae-1
0.329
AAR-POS-0daf6b7e-16
0.329
JOH-UNI-27ac80fd-25
0.329
MAK-UNK-7c9d1431-22
0.325
AHN-SAT-de2502ba-7
0.325
SAD-SAT-5b1897b2-1
0.325
MAK-UNK-212f693e-8
0.325
LON-WEI-8f408cad-7
0.325
AAR-POS-0daf6b7e-13
0.325
MAR-TRE-6a44bbf2-87
0.324
VIK-SYN-9a3d118a-4
0.324
VIK-SYN-bf9c9ac8-7
0.324
MAK-UNK-704ed37c-11
0.323
MAK-UNK-6ca90168-14
0.321
DRR-IMP-38dce17f-7
0.321
MAK-UNK-7c9d1431-29
0.320
SAD-SAT-1b030f84-9
0.317
MAK-UNK-212f693e-9
0.316
RAF-UNK-9885c2f5-2
0.316
MAK-UNK-6ca90168-1
0.313
MAR-TRE-6a44bbf2-41
0.313
SAD-SAT-5b1897b2-8
0.312
SAD-SAT-5b1897b2-10
0.312
MAK-UNK-7c9d1431-24
0.307
DRR-IMP-38dce17f-3
0.307
NIM-UNI-310206f0-7
0.306
VIK-SYN-9a3d118a-1
0.306
BEN-DND-76ad4ac9-8
0.305
MAK-UNK-704ed37c-12
0.304
NIM-UNI-310206f0-6
0.300
JOH-UNI-0e1753c1-3
0.300
LAV-MCD-880a620a-1
0.300
MED-COV-4280ac29-15
0.300
AAR-POS-d2a4d1df-35
0.300
HYO-UNK-49a60884-1
0.300
DRR-IMP-38dce17f-6
0.299
MED-COV-4280ac29-6
0.296
SWA-SYN-d2e6fa14-1
0.296
SWA-SYN-6423ea73-1
0.296
MAR-TRE-7f7bb9f0-58
0.296
MAK-UNK-7c9d1431-14
0.294
SAD-SAT-5b1897b2-5
0.294
MAT-POS-ee51dedd-1
0.294
NIM-UNI-310206f0-9
0.293
NIM-UNI-310206f0-11
0.293
NEH-REV-107bcf72-5
0.293
MAK-UNK-6ca90168-9
0.293
VIK-SYN-bf9c9ac8-2
0.292
MAK-UNK-6ca90168-10
0.291
NIM-UNI-310206f0-25
0.290
NIM-UNI-534877e5-3
0.289
MAK-UNK-7c9d1431-17
0.289
MAR-TRE-6a44bbf2-77
0.289
AAR-POS-d2a4d1df-28
0.289
BEN-BAS-c3742787-1
0.289
AAR-POS-0daf6b7e-21
0.288
MAK-UNK-af83ef51-1
0.287
MAK-UNK-6ca90168-18
0.286
SAD-SAT-29425be4-29
0.286
TAM-UNI-d1c3dd9f-12
0.284
AHN-SAT-de2502ba-1
0.284
NIM-UNI-310206f0-8
0.284
MAT-POS-ee51dedd-2
0.284
DRR-IMP-38dce17f-4
0.284
AHN-SAT-de2502ba-3
0.282
PAU-UNI-8cdd41c7-1
0.282
MAK-UNK-987948f6-4
0.282
MAK-UNK-7c9d1431-18
0.281
MAR-TRE-6a44bbf2-28
0.280
MAK-UNK-7c9d1431-23
0.280
SAD-SAT-581007d4-1
0.280