Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)CNC(=O)CCl |
MW: | 254.08 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 58.2 |
cLogP: | 1.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3261403344 |
MolPort: | MolPort-005-310-814 |
Dipeptide
MAR-TRE-6a44bbf2-27
0.477
MAR-TRE-6a44bbf2-16
0.377
MAR-TRE-f5c2d31c-66
0.357
MAR-TRE-f6f5f473-87
0.354
KEI-TRE-d5e2018a-98
0.333
MAR-TRE-74c6519b-32
0.326
MAR-TRE-6a44bbf2-81
0.323
GAB-REV-70cc3ca5-13
0.315
SAD-SAT-6b5a89f0-8
0.315
TAT-ENA-80bfd3e5-42
0.313
MAT-POS-fa06b69f-8
0.313
MAR-TRE-04c86cea-22
0.311
MAR-TRE-6a44bbf2-98
0.304
MAR-TRE-9c797165-82
0.303
KOV-VNK-5e1a909f-27
0.299
MAR-TRE-f6f5f473-60
0.298
AAR-POS-0daf6b7e-20
0.295
GIA-UNK-3f36037a-4
0.292
MAK-UNK-6ca90168-26
0.290
MAR-TRE-6a44bbf2-11
0.289
MAR-TRE-6a44bbf2-57
0.288
MAR-TRE-4f781e27-19
0.288
SEL-UNI-cd366922-6
0.284
YOI-UNK-97f54f0c-1
0.282
SIM-DEM-f31d0e65-1
0.278
MAR-TRE-6a44bbf2-34
0.276
MAR-TRE-a9136c7b-28
0.276
NIR-THE-99f25457-3
0.276
EDG-MED-0da5ad92-14
0.274
MAR-TRE-4f781e27-57
0.272
AHN-SAT-de2502ba-2
0.270
MAR-TRE-6a44bbf2-30
0.270
MAK-UNK-f983951f-26
0.270
MAR-TRE-6a44bbf2-5
0.269
MAR-TRE-67513f76-30
0.268
MAR-TRE-6a44bbf2-23
0.267
MAR-TRE-799db12b-74
0.267
MAR-TRE-6a44bbf2-60
0.265
AHN-SAT-de2502ba-12
0.263
MAR-TRE-66ac689e-30
0.263
SAD-SAT-65574d3f-8
0.263
MAR-TRE-6a44bbf2-20
0.263
MAR-TRE-9d18ae8c-48
0.263
SAD-SAT-65574d3f-4
0.262
MAR-TRE-6a44bbf2-48
0.262
MAK-UNK-f983951f-22
0.262
GIA-UNK-d2defdc3-7
0.260
AAR-UNI-c25c2f1e-77
0.259
MAK-UNK-f983951f-11
0.258
ANN-UNI-98d2bf15-1
0.257
JOH-UNI-abfda500-6
0.257
MAR-TRE-66ac689e-50
0.256
MIC-UNK-d935700b-1
0.256
AAR-UNI-c25c2f1e-36
0.256
MAK-UNK-f983951f-23
0.254
MAR-TRE-7f7bb9f0-79
0.253
MAR-TRE-6a44bbf2-96
0.250
AAR-UNI-c25c2f1e-13
0.250
GIA-UNK-3f36037a-5
0.250
MAR-TRE-6a44bbf2-73
0.250
SAD-SAT-65574d3f-2
0.250
SAD-SAT-65574d3f-7
0.250
AAR-UNI-c25c2f1e-40
0.250
JUA-UNI-b93289a4-3
0.250
JIA-UNI-12b1f9ae-2
0.250
TAT-ENA-80bfd3e5-28
0.250
MAK-UNK-6ca90168-10
0.250
JIA-UNI-9972d268-1
0.247
SAM-UNK-2684b532-8
0.247
AAR-UNI-c25c2f1e-38
0.247
SAD-SAT-689b7d5a-5
0.247
MAR-TRE-66ac689e-40
0.247
RAL-THA-2d450e86-38
0.247
JIA-UNI-12b1f9ae-1
0.247
MAR-TRE-6a44bbf2-44
0.247
MAR-TRE-6a44bbf2-70
0.247
WJF-WAB-5e8b96ca-1
0.244
MAR-TRE-66ac689e-24
0.244
BAR-COM-5694a99d-4
0.244
MAT-POS-afd4d4fd-1
0.244
MAT-POS-fa06b69f-5
0.244
RAL-THA-2d450e86-20
0.244
TAT-ENA-80bfd3e5-36
0.244
RAL-THA-2d450e86-27
0.244
MAR-TRE-9d18ae8c-69
0.244
BEN-DND-93268d01-7
0.244
EDG-MED-0da5ad92-21
0.243
EDG-MED-0da5ad92-16
0.243
MAK-UNK-c749d764-27
0.243
MAK-UNK-a7b37c5e-3
0.243
MAK-UNK-ca11b4f7-1
0.242
RAL-THA-2d450e86-8
0.241
BAR-COM-5694a99d-3
0.241
MAT-POS-162a9720-9
0.241
JOH-UNI-c7afdb96-9
0.241
MAR-TRE-9d18ae8c-14
0.241
MAK-UNK-7c9d1431-20
0.239
SWA-SYN-d2e6fa14-1
0.239
TRY-UNI-714a760b-5
0.239
JUA-UNI-b93289a4-2
0.239