Molecular Properties | |
SMILES: | CSCC(c1cc(F)cc(F)c1)N1CCN(C(=O)CCCl)CC1 |
MW: | 362.1 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 23.55 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Beta halo carbonyl
Alkyl Halide
ZAC-MCD-2bc172dc-1
0.329
GIA-UNK-7337c2f3-5
0.325
DRR-IMP-38dce17f-2
0.320
GIA-UNK-4de5abb1-4
0.313
KAI-MCD-cb49037b-1
0.303
GIA-UNK-20b63697-6
0.300
SEL-UNI-cd366922-2
0.296
GIA-UNK-4de5abb1-3
0.293
SEL-UNI-cd366922-9
0.291
SAD-SAT-581007d4-1
0.289
VIT-UNK-2a0afa28-3
0.289
GIA-UNK-7337c2f3-4
0.287
DAR-DIA-fb20be43-2
0.286
ALE-MCD-a1893bfb-1
0.278
MAR-TRE-6a44bbf2-47
0.275
PAU-WEI-b9b69149-3
0.275
DRR-IMP-db50bf6e-1
0.274
SIM-SYN-f15aaa3a-1
0.274
MAR-TRE-6a44bbf2-3
0.274
GIA-UNK-20b63697-5
0.274
STU-CHA-bc0a9883-1
0.274
DAR-DIA-fb20be43-11
0.274
NAU-LAT-f723e322-1
0.274
JOK-SYG-302da050-1
0.274
NAU-LAT-81109c57-6
0.274
MED-COV-4280ac29-6
0.273
SAD-SAT-5b1897b2-5
0.272
PAU-WEI-b9b69149-1
0.270
SAD-SAT-5b1897b2-2
0.269
MAR-TRE-6a44bbf2-18
0.269
AAR-POS-d2a4d1df-23
0.269
BEN-DND-03406596-10
0.269
LON-WEI-8f408cad-4
0.269
GIA-UNK-7337c2f3-6
0.268
JOO-PER-d7ab4f65-1
0.268
MED-COV-4280ac29-37
0.267
DRR-IMP-38dce17f-1
0.267
PAU-WEI-b9b69149-2
0.266
MAR-TRE-6a44bbf2-77
0.266
GIA-UNK-a79af1bc-1
0.266
MIH-UNI-e573136b-7
0.264
SAD-SAT-c989feaa-1
0.264
DAR-DIA-fb20be43-12
0.264
MAK-UNK-176ca439-2
0.263
ABB-MCD-f8003a30-1
0.263
MAR-TRE-6a44bbf2-32
0.263
GIA-UNK-7337c2f3-8
0.262
GIA-UNK-7337c2f3-9
0.262
JOH-UNI-27ac80fd-39
0.261
DAR-DIA-fb20be43-1
0.261
DAR-DIA-fb20be43-10
0.260
DAR-DIA-fb20be43-15
0.260
MAT-POS-162a9720-4
0.260
NIM-UNI-310206f0-6
0.260
MAR-TRE-6a44bbf2-41
0.259
GIA-UNK-20b63697-4
0.259
GIA-UNK-20b63697-3
0.259
MED-COV-4280ac29-23
0.259
GIA-UNK-20b63697-2
0.259
RED-RED-10c9212c-2
0.258
WAL-WAB-df110a02-2
0.258
MIH-UNI-e573136b-6
0.258
PAU-WEI-b9b69149-6
0.258
PAU-UNI-8cdd41c7-1
0.257
SAD-SAT-65574d3f-1
0.256
AHN-SAT-de2502ba-14
0.256
MAR-TRE-6a44bbf2-92
0.256
SAD-SAT-581007d4-7
0.256
SAD-SAT-581007d4-2
0.256
MAT-POS-2db6411e-2
0.256
AAR-POS-d2a4d1df-24
0.256
GIA-UNK-7337c2f3-7
0.256
SAD-SAT-65574d3f-10
0.256
KAT-UNK-b2a0d5b1-1
0.256
DRR-IMP-38dce17f-8
0.256
MED-COV-4280ac29-7
0.256
GIA-UNK-20b63697-8
0.256
SEA-TRI-2c7f3de8-1
0.256
SIM-SYN-f15aaa3a-2
0.256
GIA-UNK-20b63697-7
0.253
GIA-UNK-4de5abb1-1
0.253
GIA-UNK-4de5abb1-5
0.253
VIT-UNK-2a0afa28-1
0.253
PAU-WEI-b9b69149-4
0.253
NIR-THE-0d6461ce-3
0.253
DAR-DIA-3e9bbd81-12
0.250
GIA-UNK-7337c2f3-2
0.250
PAU-WEI-b9b69149-5
0.250
GIA-UNK-7337c2f3-13
0.250
TOB-UNK-c2aba166-1
0.250
MAR-TRE-6a44bbf2-12
0.250
TAM-UNI-d1c3dd9f-19
0.247
SEA-TRI-8222e606-1
0.247
MED-COV-4280ac29-18
0.247
GIA-UNK-7337c2f3-12
0.247
AHN-SAT-de2502ba-15
0.247
MAK-UNK-af83ef51-2
0.247
MAK-UNK-7c9d1431-10
0.247
AAR-POS-0daf6b7e-17
0.247
LON-WEI-8f408cad-5
0.247