Molecular Properties | |
SMILES: | CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1C |
MW: | 276.03 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.27 |
cLogP: | 1.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4190098733 |
MolPort: | MolPort-002-470-704 |
Dye 22
Hetero_hetero
MAR-TRE-6a44bbf2-83
0.516
AHN-SAT-de2502ba-13
0.516
MAR-TRE-6a44bbf2-42
0.389
MAK-UNK-6ca90168-26
0.356
MAR-TRE-6a44bbf2-74
0.355
MAR-TRE-6a44bbf2-17
0.344
MAR-TRE-6a44bbf2-84
0.343
SAD-SAT-6b5a89f0-8
0.340
MAR-TRE-6a44bbf2-16
0.333
MAR-TRE-6a44bbf2-90
0.333
MAR-TRE-6a44bbf2-35
0.333
MAR-TRE-6a44bbf2-95
0.329
AHN-SAT-de2502ba-6
0.329
MAR-TRE-6a44bbf2-43
0.329
MAR-TRE-6a44bbf2-88
0.328
SAD-SAT-6b5a89f0-10
0.327
AHN-SAT-de2502ba-10
0.319
AHN-SAT-de2502ba-5
0.319
MAR-TRE-6a44bbf2-89
0.318
AHN-SAT-de2502ba-9
0.315
AHN-SAT-de2502ba-4
0.315
MAR-TRE-6a44bbf2-100
0.315
RAF-SAT-b3ff87a1-4
0.312
YOI-UNK-4c10088f-1
0.311
IND-SYN-6c8299e8-9
0.311
MAK-UNK-ca11b4f7-1
0.305
SAD-SAT-65574d3f-4
0.305
MAR-TRE-6a44bbf2-48
0.305
RAL-THA-6b94ceba-14
0.300
GAB-REV-70cc3ca5-3
0.299
AAR-POS-0daf6b7e-11
0.296
MAK-UNK-7a704a63-10
0.296
LON-WEI-8f408cad-1
0.296
MAR-TRE-6a44bbf2-10
0.295
SWA-SYN-6423ea73-9
0.292
SWA-SYN-d2e6fa14-10
0.292
IND-SYN-6c8299e8-8
0.292
WAR-XCH-bdd24732-24
0.286
AAR-POS-d2a4d1df-38
0.284
MAK-UNK-72659d64-3
0.279
WAR-XCH-79d12f6e-6
0.278
MAR-TRE-6a44bbf2-13
0.278
RHE-UNK-eb059eb9-1
0.278
AAR-POS-0daf6b7e-3
0.278
AHN-SAT-de2502ba-19
0.278
EDJ-MED-49816e9b-2
0.278
KEI-TRE-d5e2018a-86
0.277
MAR-TRE-6a44bbf2-51
0.277
MED-COV-4280ac29-10
0.276
MAK-UNK-849bee6c-24
0.275
MAR-TRE-92684b97-40
0.274
GAB-REV-70cc3ca5-12
0.274
MAR-TRE-6a44bbf2-59
0.274
MAK-UNK-6ca90168-29
0.273
AHN-SAT-de2502ba-17
0.270
AHN-SAT-de2502ba-18
0.270
EDJ-MED-49816e9b-1
0.270
JUA-UNI-b93289a4-3
0.269
RAL-THA-6b94ceba-16
0.268
MAR-TRE-6a44bbf2-12
0.268
AHN-SAT-de2502ba-16
0.267
MAR-TRE-1c920f6f-26
0.265
MAR-TRE-6a44bbf2-60
0.265
GAB-REV-70cc3ca5-21
0.264
MAR-TRE-6a44bbf2-19
0.263
MAK-UNK-1e8f9e3c-5
0.262
MAR-TRE-1c920f6f-30
0.262
EDG-MED-0da5ad92-13
0.260
AAR-POS-d2a4d1df-36
0.260
TAT-ENA-80bfd3e5-36
0.259
MAT-POS-fa06b69f-5
0.259
SAD-SAT-65574d3f-3
0.258
MAK-UNK-f983951f-11
0.258
MIC-UNK-66895286-3
0.257
MAR-TRE-66ac689e-50
0.256
MAR-TRE-6a44bbf2-11
0.256
MAR-TRE-14ce9fd6-27
0.256
SAD-SAT-f0a2747f-7
0.256
AAR-POS-0daf6b7e-20
0.254
TRY-UNI-714a760b-6
0.253
BAR-COM-0f94fc3d-46
0.253
WIL-MOD-03b86a88-5
0.253
DAV-CRI-14a23e73-4
0.253
MAK-UNK-af83ef51-13
0.250
MAR-TRE-6a44bbf2-5
0.250
MAR-TRE-6a44bbf2-85
0.250
MAR-TRE-92684b97-13
0.250
SAD-SAT-6b5a89f0-1
0.250
WIL-MOD-03b86a88-6
0.250
EDG-MED-0da5ad92-18
0.250
MAK-UNK-1e8f9e3c-3
0.247
NAU-LAT-0543f7f2-6
0.247
MAR-TRE-92684b97-69
0.247
JAN-GHE-83b26c96-17
0.247
MIC-UNK-66895286-4
0.247
TAM-UNI-d1c3dd9f-22
0.244
MAR-TRE-6a44bbf2-3
0.244
EDJ-MED-c9f55a56-1
0.243
EDG-MED-0da5ad92-21
0.243
JUA-UNI-a9dfaed1-3
0.243