Molecular Properties | |
SMILES: | CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CCl)cc1 |
MW: | 304.03 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.34 |
cLogP: | 0.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2827127042 |
MolPort: | MolPort-002-471-063 |
Hetero_hetero
MAR-TRE-6a44bbf2-48
0.551
AAR-POS-0daf6b7e-45
0.551
SAD-SAT-65574d3f-4
0.551
SAD-SAT-65574d3f-2
0.463
MAR-TRE-6a44bbf2-73
0.463
NIM-UNI-43fe0159-8
0.362
MAK-UNK-f983951f-26
0.362
MAR-TRE-0fda4e82-48
0.350
MAR-TRE-14ce9fd6-26
0.350
MAK-UNK-f983951f-23
0.345
SAD-SAT-65574d3f-3
0.328
MAR-TRE-8190bb11-13
0.324
MAR-TRE-8190bb11-24
0.313
JAN-GHE-4287bd1a-2
0.310
MAR-TRE-8190bb11-50
0.292
NIC-BIO-7d400292-2
0.286
MAK-UNK-69bf97dd-9
0.284
MAK-UNK-f983951f-11
0.283
SIM-DEM-5935bd74-4
0.282
NIC-BIO-a68395b7-3
0.274
GIA-UNK-3f36037a-5
0.273
VIJ-CYC-1a381570-7
0.272
MAR-TRE-6a44bbf2-97
0.269
RAL-MED-2de63afb-12
0.267
WAR-XCH-79d12f6e-4
0.264
TAM-UNI-d1c3dd9f-24
0.263
MAK-UNK-f983951f-13
0.262
MAR-TRE-799db12b-6
0.262
MAR-TRE-9d18ae8c-49
0.262
AAR-POS-0daf6b7e-10
0.262
AAR-POS-d2a4d1df-31
0.261
MAR-TRE-6a44bbf2-11
0.260
ANT-DIA-b7f58f21-4
0.259
WAR-XCH-b0339bbe-20
0.258
MAR-TRE-6a44bbf2-90
0.258
WAR-XCH-79d12f6e-10
0.258
SAD-SAT-1f400d17-7
0.258
NIC-BIO-a68395b7-5
0.257
MAR-TRE-6a44bbf2-62
0.256
DUN-NEW-f8ce3686-21
0.256
TAM-UNI-d1c3dd9f-6
0.256
NIC-BIO-7d400292-3
0.253
MAR-TRE-fd17a9b8-35
0.253
MAR-TRE-6a44bbf2-93
0.250
MAK-UNK-72659d64-2
0.250
MAR-TRE-799db12b-38
0.247
NIC-BIO-a68395b7-2
0.247
SWA-SYN-6423ea73-7
0.247
SWA-SYN-d2e6fa14-7
0.247
MAR-TRE-6a44bbf2-67
0.247
MAR-TRE-fd17a9b8-91
0.247
MAR-TRE-6a44bbf2-89
0.246
MAK-UNK-f983951f-22
0.246
MAR-TRE-1c920f6f-71
0.246
DAN-MCD-1c3944e2-1
0.244
DAN-MCD-9b81d1fa-1
0.244
DAN-MCD-b3a5626f-1
0.244
RAL-THA-6b94ceba-5
0.244
WIL-UNI-1faa9b10-33
0.244
JOK-SYG-a0b0bf84-1
0.243
MAR-TRE-799db12b-35
0.243
MAR-TRE-4f781e27-99
0.243
WIL-LEE-23e8b574-2
0.243
MAR-TRE-6a44bbf2-78
0.243
MAK-UNK-7c9d1431-13
0.243
NEL-UNI-1464a899-6
0.242
VIJ-CYC-1a381570-12
0.242
MAR-TRE-d3c2bf0e-52
0.242
SAD-SAT-6b5a89f0-10
0.241
SAD-SAT-135344c3-2
0.241
NIC-BIO-a68395b7-4
0.241
MAR-TRE-6a44bbf2-16
0.239
RAF-SAT-b3ff87a1-4
0.239
NAU-LAT-81109c57-3
0.239
CHA-MCP-85291e1d-7
0.237
MAR-TRE-799db12b-84
0.237
AHN-SAT-de2502ba-10
0.237
AAR-UNI-c25c2f1e-27
0.236
TAM-UNI-d1c3dd9f-19
0.236
NEL-UNI-1464a899-2
0.235
JOH-UNI-c7afdb96-15
0.235
DAV-CRI-25b90884-3
0.235
AHN-SAT-de2502ba-9
0.234
SIM-DEM-5935bd74-3
0.234
MAR-TRE-66ac689e-12
0.234
MAR-TRE-6a44bbf2-70
0.233
MAR-TRE-6a44bbf2-81
0.232
SAD-SAT-29425be4-6
0.232
MAR-TRE-6a44bbf2-34
0.231
SEL-UNI-cd366922-8
0.231
AAR-UNI-c25c2f1e-51
0.230
AHN-SAT-de2502ba-19
0.230
MAR-LAB-efb042c5-5
0.229
AAR-POS-d2a4d1df-27
0.229
MAR-TRE-6a44bbf2-68
0.229
AAR-POS-d2a4d1df-39
0.229
MAT-POS-ee51dedd-2
0.229
SAD-SAT-6b5a89f0-8
0.228
MAR-TRE-66ac689e-50
0.228
MAK-UNK-df1a028e-5
0.228