Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1 |
MW: | 351.878 |
Fraction sp3: | 0.61 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 47.02 |
cLogP: | 1.5249 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Methylendiamines (1)
acyclic N-C-N
AAR-POS-d2a4d1df-24
WIL-LEE-23e8b574-5
0.732
MIH-UNI-e573136b-7
0.646
SIM-SYN-f15aaa3a-1
0.552
GIA-UNK-7337c2f3-4
0.493
GIA-UNK-20b63697-6
0.485
MAR-TRE-6a44bbf2-92
0.484
GIA-UNK-7337c2f3-1
0.478
GIA-UNK-20b63697-7
0.477
GIA-UNK-7337c2f3-7
0.471
GIA-UNK-20b63697-4
0.465
GIA-UNK-20b63697-2
0.465
GIA-UNK-20b63697-5
0.465
GIA-UNK-20b63697-3
0.465
GIA-UNK-7337c2f3-3
0.464
GIA-UNK-7337c2f3-6
0.464
GIA-UNK-7337c2f3-10
0.464
GIA-UNK-4de5abb1-1
0.464
MAK-UNK-af83ef51-2
0.463
GIA-UNK-20b63697-8
0.458
GIA-UNK-7337c2f3-2
0.457
DAR-DIA-3e9bbd81-12
0.457
GIA-UNK-20b63697-1
0.456
MAK-UNK-6ca90168-11
0.453
GIA-UNK-7337c2f3-9
0.451
GIA-UNK-7337c2f3-8
0.451
GIA-UNK-7337c2f3-5
0.451
GIA-UNK-7337c2f3-12
0.451
MAK-UNK-e4a48a85-13
0.441
SEL-UNI-cd366922-2
0.437
GIA-UNK-20b63697-9
0.434
GIA-UNK-7337c2f3-11
0.432
DAR-DIA-3e9bbd81-11
0.427
GIA-UNK-7337c2f3-13
0.427
GIA-UNK-7337c2f3-15
0.421
DRR-IMP-38dce17f-3
0.419
MAK-UNK-7c9d1431-24
0.419
MED-COV-4280ac29-6
0.418
GIA-UNK-c4371e97-2
0.418
AHN-SAT-de2502ba-7
0.415
MAK-UNK-10dfa458-39
0.408
MAK-UNK-e4a48a85-12
0.406
GIA-UNK-7337c2f3-14
0.405
MAK-UNK-987948f6-2
0.397
PAU-WEI-b9b69149-1
0.392
AHN-SAT-de2502ba-1
0.392
MIH-UNI-e573136b-6
0.390
YOI-UNK-a533afbc-6
0.390
YOI-UNK-12211982-6
0.390
MAK-UNK-e4a48a85-14
0.388
AAR-POS-0daf6b7e-5
0.377
DAR-DIA-3e9bbd81-15
0.376
MED-COV-4280ac29-21
0.374
MED-COV-4280ac29-18
0.373
MAK-UNK-7c9d1431-9
0.373
MAR-TRE-6a44bbf2-21
0.373
MAR-TRE-6a44bbf2-86
0.371
LON-WEI-120e5cf5-15
0.371
MAK-UNK-15efde89-1
0.371
MAK-UNK-52a1ef4b-1
0.371
MED-COV-4280ac29-23
0.368
LON-WEI-120e5cf5-5
0.366
PAU-WEI-b9b69149-4
0.365
GIA-UNK-c4371e97-1
0.364
MED-COV-4280ac29-7
0.364
PAU-WEI-3e86dfd8-2
0.362
JOO-IND-3132366c-1
0.360
DAR-DIA-3e9bbd81-16
0.360
GIA-UNK-4de5abb1-4
0.359
AAR-POS-0daf6b7e-16
0.358
MAK-UNK-7c9d1431-23
0.357
MAR-TRE-6a44bbf2-28
0.357
AHN-SAT-de2502ba-14
0.357
SAD-SAT-65574d3f-1
0.357
NIM-UNI-ed9fc491-3
0.356
MAK-UNK-e4a48a85-7
0.356
GIA-UNK-c4371e97-3
0.354
ALP-POS-90c18d1d-1
0.353
SAD-SAT-1b030f84-9
0.353
SAD-SAT-5b1897b2-9
0.350
SEA-TRI-8222e606-1
0.350
MAK-UNK-e4a48a85-26
0.349
NEH-REV-107bcf72-2
0.349
MAT-POS-162a9720-4
0.348
MAK-UNK-7c9d1431-27
0.347
MAR-TRE-6a44bbf2-77
0.347
MAR-TRE-6a44bbf2-9
0.347
WAL-WAB-df110a02-2
0.346
LON-WEI-120e5cf5-12
0.346
DRR-IMP-db50bf6e-1
0.343
WAR-XCH-79d12f6e-7
0.342
MED-COV-dea4df70-1
0.342
GIA-UNK-4de5abb1-2
0.341
SEA-TRI-2c7f3de8-1
0.341
SIM-SYN-f15aaa3a-2
0.341
JOH-UNI-27ac80fd-25
0.338
SAD-SAT-5b1897b2-10
0.338
MAK-UNK-7c9d1431-12
0.338
SWA-SYN-6423ea73-1
0.338
SWA-SYN-d2e6fa14-1
0.338
AAR-POS-d2a4d1df-24
0.338