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CHEMBRIDGE-ZINC04185586

 MMsINC code: MMs00765272
Type: Neutral
Formula: C15H23NO4
SMILES:   O1C2(CCC(C)(C2(C)C)C1=O)C(=O)NCC1OCCC1
InChI:   InChI=1/C15H23NO4/c1-13(2)14(3)6-7-15(13,20-12(14)18)11(17)16-9-10-5-4-8-19-10/h10H,4-9H2,1-3H3,(H,16,17)/t10-,14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=82.7052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.352 g/mol  logS: -2.13108  SlogP: 1.4035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879735  Sterimol/B1: 2.31441  Sterimol/B2: 3.28397  Sterimol/B3: 4.65305
  Sterimol/B4: 5.84914  Sterimol/L: 15.1843 
 
 Surface and Volume Properties
  Accessible surface: 511.639  Positive charged surface: 362.761  Negative charged surface: 148.878  Volume: 273.125
  Hydrophobic surface: 376.481  Hydrophilic surface: 135.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.