Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(NC(=O)NCc2ccccc2-n2nccc2C)c1 |
MW: | 363.17 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 88.05 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-36
0.348
AAR-UNI-c25c2f1e-19
0.337
AAR-UNI-c25c2f1e-10
0.330
AAR-UNI-c25c2f1e-80
0.323
AAR-UNI-c25c2f1e-18
0.323
BAR-COM-4e090d3a-61
0.307
AAR-UNI-c25c2f1e-43
0.306
AAR-UNI-c25c2f1e-13
0.301
AAR-UNI-c25c2f1e-75
0.298
AAR-UNI-c25c2f1e-31
0.297
AAR-UNI-c25c2f1e-72
0.295
AAR-UNI-c25c2f1e-93
0.293
AAR-UNI-c25c2f1e-40
0.289
SAD-SAT-135344c3-1
0.287
AAR-UNI-c25c2f1e-84
0.287
MAK-UNK-129dcd6f-6
0.284
SAD-SAT-135344c3-3
0.283
AAR-UNI-c25c2f1e-15
0.283
MAR-TRE-799db12b-97
0.283
AAR-UNI-c25c2f1e-22
0.279
AAR-UNI-c25c2f1e-98
0.276
WIL-UNI-1faa9b10-12
0.275
BAR-COM-4e090d3a-58
0.273
AAR-UNI-c25c2f1e-82
0.272
BAR-COM-4e090d3a-48
0.271
BAR-COM-4e090d3a-60
0.270
MAK-UNK-7a704a63-12
0.267
MAK-UNK-d1e89583-3
0.264
AAR-UNI-c25c2f1e-30
0.264
ERI-BAS-bd3ef700-1
0.263
ASH-UNK-40b46b30-7
0.262
MAK-UNK-c8c8f7e2-42
0.261
WIL-UNI-1faa9b10-23
0.261
CHA-MCP-85291e1d-1
0.260
AAR-UNI-c25c2f1e-17
0.260
UNK-CYC-68f84b31-32
0.260
JUL-TUD-06b2044f-84
0.259
AAR-UNI-c25c2f1e-46
0.258
RAL-MED-2de63afb-12
0.258
MAK-UNK-d1e89583-8
0.258
MAK-UNK-c8c8f7e2-14
0.253
MAK-UNK-7a704a63-2
0.253
AAR-UNI-c25c2f1e-90
0.253
CHA-MCP-85291e1d-3
0.253
MAK-UNK-129dcd6f-2
0.253
MAK-UNK-129dcd6f-7
0.253
WIL-UNI-1faa9b10-47
0.252
MAK-UNK-7a704a63-3
0.250
AAR-UNI-c25c2f1e-16
0.250
MAK-UNK-c8c8f7e2-13
0.250
BAR-COM-4e090d3a-54
0.250
MAK-UNK-c8c8f7e2-17
0.250
MAK-UNK-129dcd6f-1
0.248
WIL-UNI-5578df48-26
0.247
MAK-UNK-d1e89583-9
0.247
MAK-UNK-c8c8f7e2-44
0.247
MAK-UNK-009ebe36-7
0.245
AAR-UNI-c25c2f1e-62
0.245
DAR-DIA-03336633-11
0.245
DAR-DIA-0cde14eb-8
0.245
WIL-UNI-5578df48-20
0.245
AAR-UNI-c25c2f1e-65
0.245
AAR-UNI-c25c2f1e-78
0.245
BAR-COM-4e090d3a-23
0.243
AAR-UNI-c25c2f1e-56
0.242
AAR-UNI-c25c2f1e-35
0.242
MAK-UNK-6435e6c2-4
0.241
MAK-UNK-7a704a63-1
0.241
MAK-UNK-c8c8f7e2-19
0.241
WAR-XCH-eb7b662f-6
0.241
ALE-HEI-f28a35b5-1
0.241
TRY-UNI-714a760b-4
0.241
HUB-UNK-9845d277-15
0.241
TAM-UNI-c140e31a-3
0.241
MAR-TRE-f5c2d31c-33
0.241
MAR-TRE-f5c2d31c-9
0.241
MAR-TRE-9d18ae8c-52
0.240
DAR-DIA-0cde14eb-9
0.240
TRY-UNI-714a760b-12
0.239
MAK-UNK-c8c8f7e2-22
0.239
MAK-UNK-d1e89583-6
0.239
MAK-UNK-c8c8f7e2-24
0.239
JAG-UCB-cedd89ab-8
0.239
MAK-UNK-c8c8f7e2-26
0.239
MAK-UNK-7a704a63-13
0.239
MAK-UNK-c8c8f7e2-30
0.239
MAR-TRE-f5c2d31c-11
0.239
SAD-SAT-135344c3-9
0.238
BAR-COM-21d20d65-5
0.238
MAR-TRE-3e4e6814-63
0.238
MAK-UNK-c8c8f7e2-23
0.237
EDJ-MED-49816e9b-1
0.237
MAK-UNK-c8c8f7e2-25
0.237
MAR-TRE-f5c2d31c-18
0.236
MAK-UNK-c8c8f7e2-43
0.236
MAK-UNK-c8c8f7e2-27
0.236
TAM-UNI-c140e31a-2
0.236
MAR-TRE-9d18ae8c-43
0.235
AAR-UNI-c25c2f1e-64
0.235
DAR-DIA-0cde14eb-5
0.235