Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)CN2Cc3ccccc3C(c3ccccc3)C2)cc1N1CCCC1=O |
MW: | 439.559 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.65 |
cLogP: | 4.70802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
MAK-UNK-7a704a63-16
0.466
MAK-UNK-c8c8f7e2-39
0.466
JAR-IMP-ed466bb3-8
0.443
AAR-POS-0daf6b7e-14
0.357
REN-UFA-aaaed2d6-3
0.343
REN-UFA-aaaed2d6-5
0.336
JAR-IMP-ed466bb3-6
0.333
REN-UFA-aaaed2d6-1
0.333
DAV-CRI-8c8dd668-1
0.331
JAR-IMP-ed466bb3-17
0.330
RAI-NOV-a7d52b4a-2
0.330
JAR-IMP-ed466bb3-9
0.327
REN-UFA-aaaed2d6-2
0.324
WAR-XCH-b72a1bbc-22
0.322
RAI-NOV-a7d52b4a-5
0.322
JAR-IMP-ed466bb3-1
0.320
JAR-IMP-ed466bb3-12
0.317
JAR-IMP-ed466bb3-7
0.315
SAD-SAT-1f400d17-9
0.315
REN-UFA-aaaed2d6-4
0.313
JAR-IMP-ed466bb3-14
0.312
REN-UFA-aaaed2d6-6
0.312
RAI-NOV-2f6a9876-6
0.312
RAI-NOV-a7d52b4a-4
0.305
DAV-CRI-f4772df7-1
0.302
JAR-IMP-ed466bb3-3
0.301
JAR-IMP-ed466bb3-13
0.300
NIR-THE-c331be7a-6
0.296
JAR-IMP-ed466bb3-4
0.294
MAK-UNK-7a704a63-22
0.294
DAV-CRI-b7083e67-1
0.293
MIH-UNI-e573136b-15
0.289
DAV-CRI-f4772df7-3
0.289
JAR-IMP-ed466bb3-16
0.283
DAV-CRI-f4772df7-2
0.282
MAK-UNK-7a704a63-10
0.282
LON-WEI-8f408cad-1
0.282
AAR-POS-0daf6b7e-11
0.282
MAK-UNK-7a704a63-9
0.282
MIH-UNI-e573136b-13
0.281
AAR-UNI-c25c2f1e-15
0.281
JAR-IMP-ed466bb3-2
0.281
MAK-UNK-702fb7d3-20
0.280
MIH-UNI-e573136b-10
0.275
WAR-XCH-b72a1bbc-13
0.274
NIR-THE-c331be7a-1
0.273
MAK-UNK-c8c8f7e2-38
0.272
MAK-UNK-702fb7d3-21
0.271
NIR-THE-c331be7a-2
0.268
MAK-UNK-7a704a63-19
0.267
MAK-UNK-c8c8f7e2-36
0.267
MAK-UNK-702fb7d3-1
0.267
DAV-CRI-1c77f7a9-7
0.267
WIL-LEE-23e8b574-6
0.265
MAK-UNK-7a704a63-18
0.265
MAK-UNK-c8c8f7e2-41
0.265
RAI-NOV-a7d52b4a-1
0.264
MAK-UNK-c8c8f7e2-17
0.264
DAR-DIA-caba39e3-2
0.263
MAK-UNK-702fb7d3-17
0.262
TAM-UNI-d1c3dd9f-7
0.262
BEN-DND-22e6b372-4
0.262
DAR-DIA-caba39e3-1
0.261
SAL-INS-1c7a5a55-1
0.261
TAM-UNI-d1c3dd9f-8
0.260
MAK-UNK-7a704a63-21
0.260
MAK-UNK-c8c8f7e2-37
0.260
EDJ-MED-54fbebd8-5
0.260
THO-SYG-4e0386bb-1
0.259
MAK-UNK-1e8f9e3c-5
0.259
MAK-UNK-702fb7d3-18
0.259
MAK-UNK-6435e6c2-4
0.257
MAK-UNK-10dfa458-22
0.257
MAR-TRE-6a44bbf2-3
0.257
BEN-DND-6de5dfa0-13
0.256
BEN-DND-93268d01-12
0.256
EDJ-MED-54fbebd8-4
0.256
MAK-UNK-7a704a63-5
0.255
MAK-UNK-c8c8f7e2-10
0.255
MAK-UNK-1e8f9e3c-6
0.254
MAK-UNK-702fb7d3-19
0.253
BEN-DND-09b88bf4-1
0.252
BEN-DND-6de5dfa0-2
0.252
RAI-NOV-a7d52b4a-3
0.252
DAV-CRI-3fe943ba-2
0.252
SAL-INS-1c7a5a55-2
0.252
DAV-SYG-f22c749d-4
0.252
MAR-TRE-6a44bbf2-12
0.250
BEN-DND-09b88bf4-7
0.250
MAK-UNK-702fb7d3-2
0.250
MAK-UNK-c8c8f7e2-18
0.250
MAK-UNK-1e8f9e3c-4
0.250
LOR-NOR-30067bb9-8
0.250
MAK-UNK-702fb7d3-3
0.250
DAV-SYG-f22c749d-5
0.248
NIR-WEI-dcc3321b-3
0.248
NIR-WEI-dcc3321b-6
0.248
EDJ-MED-54fbebd8-3
0.248
SAL-INS-1c7a5a55-5
0.248
MAK-UNK-1e8f9e3c-3
0.248