Molecular Properties | |
SMILES: | CCc1cccc(NC(=O)Cc2cn(CCOC)c3ncccc23)c1 |
MW: | 337.18 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 56.15 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4287644879 |
dyes5A(27)
MAR-TRE-3159af1a-85
0.772
MAR-TRE-3159af1a-59
0.744
MAR-TRE-3159af1a-18
0.671
MAR-TRE-3159af1a-14
0.622
MAR-TRE-3159af1a-4
0.616
MAR-TRE-3159af1a-100
0.613
MAR-TRE-3159af1a-13
0.613
MAR-TRE-3159af1a-73
0.583
MAR-TRE-3159af1a-46
0.582
MAR-TRE-3159af1a-49
0.570
MAR-TRE-3159af1a-5
0.551
MAR-TRE-3159af1a-22
0.538
MAR-TRE-3159af1a-98
0.506
MAR-TRE-3159af1a-94
0.494
MAR-TRE-3159af1a-27
0.473
MAR-TRE-3159af1a-30
0.465
MAR-TRE-3159af1a-12
0.460
MAR-TRE-3159af1a-34
0.457
MAR-TRE-3159af1a-64
0.456
MAR-TRE-3159af1a-25
0.455
MAR-TRE-3159af1a-3
0.454
MAR-TRE-3159af1a-68
0.454
MAR-TRE-3159af1a-55
0.451
MAR-TRE-3159af1a-38
0.440
MAR-TRE-3159af1a-15
0.437
MAR-TRE-b77b7921-90
0.385
MAR-TRE-f6f5f473-44
0.376
DAR-DIA-23aa0b97-12
0.333
MAR-TRE-74c6519b-31
0.330
MAR-TRE-3159af1a-53
0.330
MAR-TRE-799db12b-33
0.330
RAL-MED-2de63afb-12
0.323
MAR-TRE-04c86cea-42
0.319
BAR-COM-4e090d3a-35
0.318
DUN-NEW-f8ce3686-9
0.314
MAR-TRE-3159af1a-96
0.314
LON-WEI-b8d98729-17
0.310
MAR-TRE-3159af1a-97
0.308
BAR-COM-0f94fc3d-57
0.307
DAR-DIA-23aa0b97-1
0.307
MAR-TRE-3159af1a-33
0.306
BAR-COM-4e090d3a-15
0.302
DAR-DIA-23aa0b97-18
0.301
MAR-TRE-9d18ae8c-53
0.299
ANT-OPE-6e66bf84-2
0.298
MAR-TRE-f5c2d31c-63
0.295
IAN-BAS-36ca50f1-1
0.292
MIC-UNK-66895286-3
0.290
MAK-UNK-c749d764-17
0.289
MAR-TRE-66ac689e-37
0.289
DAR-DIA-23aa0b97-4
0.287
EDJ-MED-49816e9b-1
0.287
RAL-MED-2de63afb-8
0.287
RAL-MED-2de63afb-13
0.287
BAR-COM-4e090d3a-66
0.287
ERI-UCB-ce40166b-4
0.287
MAR-TRE-4b834d9a-3
0.287
MAR-TRE-a9136c7b-11
0.287
LON-WEI-b8d98729-16
0.286
MIC-UNK-66895286-5
0.283
RAL-MED-2de63afb-7
0.283
MAR-TRE-b77b7921-54
0.282
MIC-UNK-66895286-4
0.281
PET-UNK-8922bd3c-1
0.280
LON-WEI-d1c9908a-6
0.280
MAR-TRE-74c6519b-88
0.280
ANT-OPE-6e66bf84-1
0.279
DUN-NEW-f8ce3686-7
0.278
LON-WEI-b8d98729-15
0.277
RAL-MED-2de63afb-1
0.277
MAR-TRE-f5c2d31c-39
0.274
MAR-TRE-799db12b-76
0.274
LON-WEI-b8d98729-38
0.272
MAR-TRE-b77b7921-11
0.271
KAL-WAB-eb347ebe-1
0.271
BEN-DND-61647d40-15
0.270
CHA-MCP-85291e1d-6
0.270
BAR-COM-4e090d3a-11
0.270
BAR-COM-4e090d3a-54
0.270
MIC-UNK-66895286-2
0.269
MAR-TRE-4b834d9a-2
0.269
SAD-SAT-24589cd1-2
0.268
DAR-DIA-842b4336-23
0.267
BEN-DND-61647d40-16
0.267
MAR-TRE-4b834d9a-10
0.267
MAR-TRE-d0525fbf-22
0.265
MAR-TRE-74c6519b-7
0.265
MAR-TRE-9d18ae8c-54
0.265
RAL-MED-2de63afb-3
0.265
MAR-TRE-8190bb11-4
0.265
MAR-TRE-799db12b-24
0.265
MAR-TRE-4b834d9a-39
0.264
MAR-TRE-4b834d9a-20
0.263
MAR-TRE-04c86cea-33
0.263
MAR-TRE-b77b7921-10
0.262
JIN-POS-6dc588a4-23
0.262
MIC-UNK-08cd9c58-1
0.262
MAT-POS-f7918075-3
0.262
MAR-TRE-4f781e27-47
0.262
CHA-MCP-85291e1d-3
0.262