Molecular Properties | |
SMILES: | O=C(Nc1ccccc1CS(=O)(=O)F)NC(Cc1cccnc1)C(=O)CCl |
MW: | 413.858 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 105.23 |
cLogP: | 2.4216 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogen_heteroatom
sulfonyl_halide
Acyl halides and analogues
Halogen-bonded heteroatoms
Ketones
Filter2_acyl_phosphyl_sulfonyl_halide
Filter25_sulfonyl_halide
Filter47_so2f
Filter64_halo_ketone_sulfone
sufonyl halide
aliphatic ketone not ring and not di-carbonyl
acid halide
P/S halide
Ketone
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
AAR-POS-d2a4d1df-11
JIA-UNI-9972d268-1
0.552
JIA-UNI-9972d268-3
0.549
JIA-UNI-12b1f9ae-1
0.519
MAR-TRE-9d18ae8c-35
0.352
ANT-DIA-3c79be55-2
0.307
SAD-SAT-689b7d5a-5
0.302
SIM-DEM-f31d0e65-1
0.302
BAR-COM-5694a99d-4
0.299
NAU-LAT-64f4b287-9
0.298
BEN-DND-61647d40-17
0.297
BAR-COM-5694a99d-3
0.296
JIA-UNI-9972d268-2
0.294
BAR-COM-5694a99d-1
0.293
BEN-DND-031a96cc-1
0.291
MAK-UNK-10799360-24
0.290
BEN-DND-61647d40-18
0.286
MAR-TRE-4f781e27-34
0.286
NIM-UNI-7ba87d62-3
0.286
BAR-COM-5694a99d-5
0.280
MAK-UNK-ca11b4f7-1
0.278
GAB-REV-70cc3ca5-13
0.277
MAK-UNK-d1e89583-8
0.277
MED-COV-4280ac29-28
0.275
WAR-XCH-6eb0722e-2
0.274
MAK-UNK-30aad1f1-1
0.274
NIM-UNI-7ba87d62-2
0.274
MAK-UNK-a7b37c5e-1
0.270
MAR-TRE-3e4e6814-54
0.269
DAR-DIA-23aa0b97-6
0.269
BEN-DND-61647d40-8
0.269
ANT-DIA-b7f58f21-1
0.268
MAR-TRE-2fd8122f-65
0.267
MAR-TRE-c8530538-66
0.267
CHA-KIN-45d1307a-1
0.267
MAR-TRE-799db12b-74
0.266
CHA-MCP-85291e1d-7
0.265
WIL-UNI-5578df48-26
0.265
BAR-COM-4e090d3a-57
0.265
MAR-TRE-04c86cea-97
0.263
MAR-TRE-66ac689e-30
0.263
HUB-UNK-9845d277-3
0.263
BAR-COM-4e090d3a-69
0.262
SAD-SAT-689b7d5a-1
0.262
DRR-IMP-38dce17f-4
0.261
BEN-DND-61647d40-7
0.260
ADA-UNI-f8e79267-1
0.260
KEI-TRE-d5e2018a-98
0.259
MAR-TRE-2fd8122f-79
0.258
MAR-TRE-9d18ae8c-14
0.258
PEI-IMP-ca0b2813-4
0.257
WAR-XCH-6eb0722e-4
0.257
SAN-PRS-52b81272-2
0.256
DAR-DIA-23aa0b97-16
0.256
MAK-UNK-d1e89583-2
0.256
DAR-DIA-23aa0b97-4
0.255
MAR-TRE-4f781e27-29
0.255
BEN-DND-93268d01-14
0.255
MAR-TRE-d0525fbf-91
0.255
MAR-TRE-fd17a9b8-62
0.255
EDG-MED-0da5ad92-2
0.253
MAR-TRE-e86a56b5-66
0.253
PEI-IMP-ca0b2813-1
0.253
MAK-UNK-5d2caa6f-1
0.253
SAD-SAT-689b7d5a-6
0.253
BAR-COM-4e090d3a-3
0.252
WAR-XCH-6eb0722e-6
0.252
MED-COV-4280ac29-3
0.252
MAD-FNM-74857450-1
0.252
DUN-NEW-f8ce3686-5
0.252
MAR-TRE-6a44bbf2-97
0.250
SAD-SAT-135344c3-3
0.250
IAN-BAS-5ff43d1c-1
0.250
SAM-UNK-2684b532-8
0.250
MAK-UNK-b2c98f02-5
0.248
RAL-MED-2de63afb-1
0.248
CHA-MCP-85291e1d-5
0.247
MAR-TRE-9d18ae8c-69
0.247
MAR-TRE-423310b6-43
0.247
MAR-TRE-87acfbcc-76
0.247
DAV-SYG-f22c749d-2
0.246
WAR-XCH-6eb0722e-3
0.245
ADA-UNI-f8e79267-8
0.245
ANT-OPE-6e66bf84-2
0.245
BAR-COM-21d20d65-9
0.245
WIL-UNI-5578df48-24
0.245
BAR-COM-5694a99d-2
0.245
KEI-TRE-d5e2018a-81
0.245
SAM-UNK-2684b532-11
0.245
MAR-TRE-e86a56b5-35
0.245
SAD-SAT-689b7d5a-10
0.245
NIM-UNI-bb9030bf-6
0.245
MAK-UNK-8fdbca50-11
0.244
MAR-TRE-423310b6-46
0.244
MAK-UNK-d1e89583-4
0.244
ADA-UNI-f8e79267-7
0.243
LON-WEI-ff7b210a-4
0.243
SAD-SAT-135344c3-1
0.243
MAR-TRE-74c6519b-79
0.243
RAL-THA-6b94ceba-16
0.243
NIM-UNI-bb9030bf-1
0.242