Molecular Properties | |
SMILES: | O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 |
MW: | 427.16 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 86.79 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9861709225 |
Activated double bonds (3)
Filter88_ene_sulfone
Long aliphatic chain
Hetero_hetero
phenylethene
MAK-UNK-987948f6-2
0.500
TAT-ENA-80bfd3e5-2
0.412
MAK-UNK-7c9d1431-27
0.385
TAT-ENA-80bfd3e5-41
0.381
DRR-IMP-db50bf6e-1
0.347
AHN-SAT-de2502ba-8
0.347
AAR-POS-d2a4d1df-25
0.347
MAK-UNK-987948f6-3
0.333
DRR-IMP-db50bf6e-3
0.333
GIA-UNK-eaadd1d4-1
0.333
AHN-SAT-de2502ba-14
0.325
SAD-SAT-65574d3f-1
0.325
GIA-UNK-595fac82-2
0.321
GIA-UNK-5ec6c2b8-1
0.320
BEN-DND-7e92b6ca-6
0.318
MAK-UNK-6ca90168-15
0.316
MAK-UNK-6ca90168-20
0.312
TAT-ENA-80bfd3e5-26
0.310
GIA-UNK-995df016-10
0.305
SAD-SAT-b55127ae-8
0.301
BEN-DND-03ad4429-8
0.300
ASH-SAT-43770c7d-10
0.300
BEN-DND-6de5dfa0-2
0.298
BEN-DND-09b88bf4-1
0.298
DRR-IMP-db50bf6e-2
0.298
SAD-SAT-3a925b8b-5
0.295
DAV-IMP-59dd6621-12
0.292
CAR-INS-33b3c115-4
0.287
TOB-UNK-c2aba166-4
0.286
ZAC-WAB-0847d168-1
0.286
TAT-ENA-80bfd3e5-35
0.284
JAN-GHE-1d98ec1c-8
0.281
BEN-DND-03ad4429-4
0.280
SAD-SAT-581007d4-6
0.279
STE-KUL-2e0d2e88-1
0.279
MAR-TRE-6a44bbf2-61
0.278
AAR-POS-d2a4d1df-29
0.278
LON-WEI-ff7b210a-9
0.278
TAT-ENA-80bfd3e5-29
0.278
AAR-POS-0daf6b7e-5
0.277
MAR-TRE-6a44bbf2-28
0.277
MAK-UNK-7c9d1431-23
0.277
CAR-INS-33b3c115-3
0.276
YOI-UNK-090ea88a-1
0.274
MAR-TRE-6a44bbf2-21
0.272
MAK-UNK-7c9d1431-9
0.272
AHN-SAT-de2502ba-7
0.272
SEL-UNI-cd366922-2
0.270
MAK-UNK-7c9d1431-24
0.269
DRR-IMP-38dce17f-3
0.269
SWA-SYN-40d44a84-2
0.268
SAD-SAT-581007d4-5
0.265
NIM-UNI-05f93fcc-2
0.261
AAR-POS-0daf6b7e-16
0.259
DRA-CSI-3ab97369-13
0.257
DRA-CSI-13f611db-1
0.257
TAT-ENA-80bfd3e5-44
0.254
MED-COV-4280ac29-14
0.253
MIC-FED-19b1f86d-4
0.253
MAK-UNK-af83ef51-2
0.253
WAR-XCH-79d12f6e-7
0.253
MAK-UNK-6ca90168-7
0.253
SAD-SAT-2ceae68f-6
0.252
MAK-UNK-6ca90168-1
0.250
SWA-SYN-6423ea73-2
0.250
SWA-SYN-d2e6fa14-2
0.250
MAK-UNK-6ca90168-3
0.250
GIA-UNK-20b63697-3
0.250
GIA-UNK-20b63697-5
0.250
MAR-TRE-3159af1a-19
0.248
AAR-POS-fca48359-2
0.247
LON-WEI-8f408cad-2
0.247
MAR-TRE-6a44bbf2-92
0.247
SWA-SYN-6423ea73-1
0.247
SWA-SYN-d2e6fa14-1
0.247
MAR-TRE-6a44bbf2-4
0.247
AAR-POS-d2a4d1df-32
0.247
SIM-SYN-f15aaa3a-1
0.247
SAD-SAT-2fd372d1-4
0.247
SAD-SAT-2ceae68f-3
0.245
GIA-UNK-20b63697-6
0.244
AAR-POS-d2a4d1df-37
0.244
MAR-TRE-6a44bbf2-7
0.244
MAK-UNK-6ca90168-9
0.244
GIA-UNK-20b63697-7
0.244
MAK-UNK-15efde89-1
0.244
JOH-UNI-27ac80fd-25
0.244
SAD-SAT-3a925b8b-1
0.244
BEN-DND-03406596-1
0.242
BEN-DND-76ad4ac9-9
0.242
MAK-UNK-6ca90168-8
0.242
MAK-UNK-af83ef51-1
0.242
SAD-SAT-5b1897b2-3
0.241
DRR-IMP-dff87f5e-4
0.241
SAD-SAT-f0a2747f-1
0.240
STU-CHA-6d5cfe2b-1
0.240
TAM-UNI-d1c3dd9f-4
0.240
MAR-TRE-66ac689e-34
0.240
DUN-NEW-f8ce3686-25
0.240
AHN-SAT-de2502ba-1
0.239