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CHEMBRIDGE-ZINC02749996

 MMsINC code: MMs00715155
Type: Neutral
Formula: C15H18N2O4
SMILES:   o1cccc1CNC(=O)CCCC(=O)NCc1occc1
InChI:   InChI=1/C15H18N2O4/c18-14(16-10-12-4-2-8-20-12)6-1-7-15(19)17-11-13-5-3-9-21-13/h2-5,8-9H,1,6-7,10-11H2,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=14.5152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.94023  SlogP: 2.5083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267125  Sterimol/B1: 2.09771  Sterimol/B2: 3.00282  Sterimol/B3: 3.9149
  Sterimol/B4: 4.7677  Sterimol/L: 20.2017 
 
 Surface and Volume Properties
  Accessible surface: 583.415  Positive charged surface: 348.042  Negative charged surface: 235.372  Volume: 281.75
  Hydrophobic surface: 450.485  Hydrophilic surface: 132.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.