Molecular Properties | |
SMILES: | CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CCl |
MW: | 344.1 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.48 |
cLogP: | 2.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9557001298 |
MolPort: | MolPort-002-470-445 |
Hetero_hetero
MAR-TRE-66ac689e-50
0.375
MAR-TRE-6a44bbf2-30
0.309
AHN-SAT-de2502ba-2
0.309
SAD-SAT-d8079f6f-9
0.308
MAR-TRE-6a44bbf2-60
0.307
AAR-POS-0daf6b7e-20
0.300
TAT-ENA-80bfd3e5-36
0.295
MAT-POS-fa06b69f-5
0.295
MAR-TRE-6a44bbf2-57
0.293
MAR-TRE-6a44bbf2-97
0.289
AHN-SAT-de2502ba-10
0.289
WAR-XCH-bdd24732-37
0.287
MAK-UNK-1e8f9e3c-4
0.284
SID-ELM-8b394441-4
0.284
TAT-ENA-80bfd3e5-42
0.282
MAT-POS-fa06b69f-8
0.282
MAT-POS-162a9720-6
0.282
WAR-XCH-bdd24732-36
0.281
MAK-UNK-f983951f-26
0.278
MAK-UNK-6ca90168-26
0.278
AHN-SAT-de2502ba-18
0.277
AHN-SAT-de2502ba-17
0.277
SAD-SAT-edc8a235-1
0.277
DRR-IMP-dff87f5e-5
0.275
MAR-TRE-6a44bbf2-98
0.275
MAR-TRE-6a44bbf2-8
0.275
AAR-POS-d2a4d1df-34
0.275
SEL-UNI-cd366922-6
0.274
BEN-BAS-2a7c309d-1
0.274
CHA-KIN-f512e507-3
0.273
BEN-DND-03406596-9
0.271
AHN-SAT-de2502ba-12
0.271
SAD-SAT-65574d3f-8
0.271
MAR-TRE-6a44bbf2-20
0.271
MAR-TRE-6a44bbf2-27
0.271
BEN-DND-76ad4ac9-11
0.271
DRR-IMP-11d47bff-1
0.270
AHN-SAT-de2502ba-19
0.268
SID-ELM-8b394441-2
0.268
NIR-THE-99f25457-3
0.267
MAR-TRE-6a44bbf2-51
0.267
MAK-UNK-b2c98f02-1
0.265
CHA-KIN-f512e507-2
0.265
MAK-UNK-69bf97dd-7
0.263
SAD-SAT-9a6c5cf3-10
0.261
MAK-UNK-b2c98f02-2
0.260
MAR-TRE-6a44bbf2-5
0.260
JUA-UNI-b93289a4-3
0.260
MAR-TRE-9d18ae8c-70
0.258
SAD-SAT-29425be4-5
0.258
CHA-KIN-f512e507-1
0.258
WAR-XCH-bdd24732-39
0.258
SAD-SAT-6b5a89f0-8
0.258
MAR-TRE-6a44bbf2-93
0.256
ALE-HEI-f28a35b5-6
0.256
YOI-UNK-97f54f0c-1
0.256
TRY-UNI-714a760b-10
0.256
EDG-MED-0da5ad92-4
0.256
AHN-SAT-de2502ba-9
0.256
MAR-TRE-6a44bbf2-19
0.256
MAK-UNK-69bf97dd-8
0.255
MAR-TRE-6a44bbf2-48
0.254
SAD-SAT-65574d3f-4
0.254
MAK-UNK-f983951f-22
0.253
MAR-TRE-6a44bbf2-89
0.253
SWA-SYN-d2e6fa14-2
0.253
SWA-SYN-6423ea73-2
0.253
AAR-POS-0daf6b7e-6
0.253
MAR-TRE-6a44bbf2-15
0.253
SID-ELM-b654bfa2-9
0.253
MAK-UNK-f2409524-16
0.252
SAD-SAT-d8079f6f-8
0.250
AAR-POS-d2a4d1df-31
0.250
SID-ELM-8b394441-18
0.250
ALP-POS-d7944b10-15
0.250
MAK-UNK-7c9d1431-12
0.250
MAR-TRE-4f781e27-57
0.250
MAK-UNK-194150d3-11
0.250
SWA-SYN-6423ea73-1
0.250
SWA-SYN-d2e6fa14-1
0.250
SAD-SAT-65574d3f-3
0.250
WAR-XCH-bdd24732-38
0.250
MAR-TRE-6a44bbf2-62
0.247
MAK-UNK-3d7e3904-2
0.247
AAR-POS-d2a4d1df-37
0.247
GIA-UNK-20b63697-6
0.247
MAR-TRE-6a44bbf2-7
0.247
LON-WEI-120e5cf5-16
0.247
AHN-SAT-de2502ba-16
0.244
AHN-SAT-de2502ba-5
0.244
MAR-TRE-423310b6-63
0.244
LON-WEI-120e5cf5-5
0.244
WAR-XCH-b6889685-55
0.244
SAD-SAT-65574d3f-2
0.243
MAR-TRE-6a44bbf2-73
0.243
MAR-TRE-f6f5f473-35
0.242
MAK-UNK-ffc90da7-2
0.242
MAK-UNK-c749d764-12
0.242
JON-UIO-066ce08b-5
0.241
MAR-TRE-6a44bbf2-17
0.241