Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC3CCN(C(=O)CCl)CC3)cc2)c(C)c1 |
MW: | 493.14 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 104.81 |
cLogP: | 2.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
WAR-XCH-79d12f6e-4
0.562
NIR-THE-0d6461ce-1
0.385
NIR-THE-0d6461ce-5
0.384
DAV-UNK-07f953a2-2
0.360
MAR-TRE-6a44bbf2-12
0.337
GIA-UNK-a79af1bc-1
0.337
JAR-KUA-41bd5a3d-9
0.337
LON-WEI-120e5cf5-13
0.327
NIR-THE-0d6461ce-9
0.326
SAD-SAT-29425be4-3
0.320
SAD-SAT-29425be4-10
0.319
AAR-POS-d2a4d1df-36
0.316
LON-WEI-120e5cf5-10
0.316
MAK-UNK-af83ef51-6
0.316
MAK-UNK-df1a028e-5
0.310
MAR-TRE-6a44bbf2-9
0.309
MAK-UNK-c97f7c8f-1
0.309
MAK-UNK-7c9d1431-8
0.309
MAR-TRE-6a44bbf2-26
0.309
SAD-SAT-9a6c5cf3-2
0.308
AAR-POS-5507155c-2
0.307
AAR-POS-f650c5f2-4
0.307
LON-WEI-120e5cf5-17
0.307
LON-WEI-120e5cf5-1
0.307
NIM-UNI-43fe0159-7
0.302
MAK-UNK-212f693e-13
0.298
LON-WEI-120e5cf5-19
0.297
LON-WEI-120e5cf5-21
0.297
MAK-UNK-7c9d1431-19
0.296
LON-WEI-120e5cf5-20
0.295
SAD-SAT-9a6c5cf3-7
0.294
TAM-UNI-d1c3dd9f-6
0.292
NIR-THE-0d6461ce-4
0.292
AAR-POS-d2a4d1df-27
0.290
MAR-TRE-6a44bbf2-68
0.290
MAR-LAB-efb042c5-5
0.290
LON-WEI-120e5cf5-3
0.290
MAK-UNK-af83ef51-18
0.289
WAR-XCH-79d12f6e-6
0.289
RHE-UNK-eb059eb9-1
0.289
MAR-TRE-6a44bbf2-15
0.289
AAR-POS-0daf6b7e-6
0.289
AAR-POS-0daf6b7e-3
0.289
MAR-TRE-6a44bbf2-13
0.289
AAR-POS-0daf6b7e-5
0.287
DAN-MCD-881986d8-1
0.286
MED-COV-4280ac29-4
0.286
SAD-SAT-29425be4-6
0.286
SAD-SAT-29425be4-18
0.284
MAK-UNK-3f402c2b-12
0.284
MAR-TRE-6a44bbf2-86
0.284
LON-WEI-120e5cf5-15
0.284
HAR-NEW-e34cb1ae-5
0.282
MAK-UNK-d4768348-6
0.281
NIR-THE-0d6461ce-7
0.280
WAR-XCH-b0339bbe-3
0.280
ASH-SAT-43770c7d-10
0.280
NIR-THE-0d6461ce-10
0.278
SAD-SAT-9a6c5cf3-4
0.277
MAK-UNK-69bf97dd-4
0.277
SAD-SAT-9a6c5cf3-6
0.277
MAR-TRE-6a44bbf2-89
0.277
SAD-SAT-29425be4-20
0.276
SAD-SAT-f2e2579e-5
0.276
LON-WEI-120e5cf5-4
0.276
MAK-UNK-af83ef51-17
0.276
MAR-TRE-6a44bbf2-47
0.276
BEN-DND-76ad4ac9-7
0.276
SAD-SAT-29425be4-30
0.274
MAK-UNK-69bf97dd-5
0.274
LON-WEI-120e5cf5-7
0.274
NIR-THE-0d6461ce-11
0.274
NAU-LAT-f723e322-5
0.273
WAR-XCH-79d12f6e-5
0.271
MAK-UNK-a7992eb3-8
0.270
STU-CHA-09bcc2f6-1
0.270
WAR-XCH-e55cba98-7
0.270
SAD-SAT-581007d4-4
0.270
MAK-UNK-987948f6-15
0.268
MAK-UNK-a7992eb3-7
0.266
NIR-THE-0d6461ce-12
0.266
SAD-SAT-29425be4-5
0.266
SAD-SAT-5b1897b2-4
0.266
LON-WEI-120e5cf5-9
0.265
MAR-TRE-6a44bbf2-32
0.265
ABB-MCD-f8003a30-1
0.265
MAK-UNK-69bf97dd-2
0.265
MAK-UNK-c97f7c8f-2
0.265
PEI-IMP-ca0b2813-3
0.265
VIK-SYN-9a3d118a-8
0.265
SEL-UNI-cd366922-9
0.264
SAD-SAT-29425be4-11
0.264
NIR-THE-0d6461ce-8
0.263
MAK-UNK-a7992eb3-6
0.262
SAD-SAT-29425be4-28
0.262
STU-CHA-83dacf15-1
0.261
MAK-UNK-a7992eb3-9
0.261
AAR-POS-d2a4d1df-24
0.260
MAK-UNK-7c9d1431-13
0.260
MAR-TRE-6a44bbf2-78
0.260