Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(N2CCCS2(=O)=O)c1 |
MW: | 288.756 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 66.48 |
cLogP: | 1.4038 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1562125346 |
Enamine Extended REAL: | m_270062____7601482____8147258 |
AAR-POS-d2a4d1df-4
SWA-SYN-d2e6fa14-10
1.000
IND-SYN-6c8299e8-8
1.000
SWA-SYN-d2e6fa14-8
0.647
SWA-SYN-6423ea73-8
0.647
LON-WEI-8f408cad-1
0.523
MAK-UNK-7a704a63-10
0.523
AAR-POS-0daf6b7e-11
0.523
MAK-UNK-1e8f9e3c-3
0.430
MAR-TRE-6a44bbf2-43
0.429
AHN-SAT-de2502ba-6
0.429
AAR-POS-d2a4d1df-38
0.417
AHN-SAT-de2502ba-5
0.417
MAK-UNK-1e8f9e3c-5
0.412
IND-SYN-6c8299e8-9
0.387
MAK-UNK-7a704a63-9
0.375
MAR-TRE-6a44bbf2-100
0.373
AHN-SAT-de2502ba-4
0.373
MED-COV-4280ac29-10
0.368
MAK-UNK-1e8f9e3c-4
0.360
WAR-XCH-bdd24732-24
0.359
SAD-SAT-24589cd1-2
0.355
MAK-UNK-c8c8f7e2-29
0.351
MAK-UNK-c8c8f7e2-23
0.347
SAD-SAT-6b5a89f0-8
0.345
MAK-UNK-c8c8f7e2-18
0.342
MAK-UNK-7a704a63-8
0.338
MAK-UNK-c8c8f7e2-15
0.338
MAR-TRE-6a44bbf2-10
0.333
MAK-UNK-c8c8f7e2-25
0.329
MAR-TRE-6a44bbf2-84
0.329
MAR-TRE-6a44bbf2-17
0.329
MAK-UNK-6435e6c2-4
0.324
MAR-TRE-6a44bbf2-89
0.324
AAR-UNI-c25c2f1e-87
0.322
MAR-TRE-6a44bbf2-35
0.320
MAK-UNK-c8c8f7e2-26
0.319
MAK-UNK-7a704a63-13
0.319
MAK-UNK-c8c8f7e2-30
0.319
MAK-UNK-7a704a63-12
0.319
MAR-TRE-6a44bbf2-74
0.319
MAR-TRE-6a44bbf2-3
0.316
MAK-UNK-c8c8f7e2-28
0.316
MAK-UNK-7a704a63-14
0.316
LON-WEI-120e5cf5-19
0.312
MAK-UNK-ca11b4f7-1
0.312
MAK-UNK-c8c8f7e2-17
0.312
MAK-UNK-c8c8f7e2-21
0.311
MAR-TRE-6a44bbf2-59
0.310
MAK-UNK-1e8f9e3c-6
0.307
MAK-UNK-c8c8f7e2-16
0.307
MAR-TRE-799db12b-40
0.306
AHN-SAT-de2502ba-19
0.303
MAK-UNK-10dfa458-3
0.303
MAK-UNK-10dfa458-22
0.303
MAK-UNK-c8c8f7e2-14
0.301
MAK-UNK-7a704a63-2
0.301
MAR-TRE-6a44bbf2-83
0.300
AHN-SAT-de2502ba-13
0.300
MAK-UNK-c8c8f7e2-24
0.299
MAK-UNK-c8c8f7e2-22
0.299
MAK-UNK-c8c8f7e2-43
0.297
MAK-UNK-c8c8f7e2-27
0.297
MAK-UNK-7a704a63-15
0.295
AHN-SAT-de2502ba-18
0.295
AHN-SAT-de2502ba-17
0.295
MAK-UNK-9159f8ed-1
0.295
MAK-UNK-c8c8f7e2-42
0.293
MAR-TRE-6a44bbf2-88
0.292
MAK-UNK-9159f8ed-4
0.292
MAR-TRE-6a44bbf2-93
0.292
SAD-SAT-6b5a89f0-10
0.290
MAR-TRE-6a44bbf2-42
0.289
MAK-UNK-7a704a63-1
0.288
WIL-LEE-23e8b574-8
0.284
MAR-TRE-6a44bbf2-95
0.282
NIR-THE-0d6461ce-1
0.282
MAK-UNK-987948f6-7
0.280
MAR-TRE-6a44bbf2-86
0.280
MAK-UNK-7a704a63-3
0.280
MAK-UNK-c8c8f7e2-13
0.280
LON-WEI-120e5cf5-15
0.280
MAK-UNK-10dfa458-32
0.280
MAR-TRE-a9136c7b-57
0.279
LON-WEI-120e5cf5-6
0.278
LON-WEI-120e5cf5-2
0.278
AHN-SAT-de2502ba-7
0.278
MAK-UNK-c8c8f7e2-44
0.276
SAD-SAT-5b1897b2-4
0.274
MAR-TRE-9c797165-2
0.272
MAK-UNK-987948f6-6
0.271
BAR-COM-4e090d3a-60
0.270
JOO-IND-6372a4f3-2
0.268
MAK-UNK-849bee6c-24
0.268
MAK-UNK-9159f8ed-6
0.267
MAK-UNK-1e8f9e3c-1
0.267
BAR-COM-0f94fc3d-53
0.266
MAR-TRE-6a44bbf2-76
0.266
WIL-LEE-23e8b574-6
0.264
MAK-UNK-9159f8ed-5
0.263
YOI-UNK-4c10088f-1
0.261