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NCID-ZINC05957101

 MMsINC code: MMs02513702
Type: Neutral
Formula: C14H18O4
SMILES:   O1CCOC12C=CC1OC(=O)C(C)C2(C1)CC=C
InChI:   InChI=1/C14H18O4/c1-3-5-13-9-11(18-12(15)10(13)2)4-6-14(13)16-7-8-17-14/h3-4,6,10-11H,1,5,7-9H2,2H3/t10-,11-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=95.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.294 g/mol  logS: -2.53369  SlogP: 1.8134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.465634  Sterimol/B1: 2.48281  Sterimol/B2: 4.4638  Sterimol/B3: 4.62482
  Sterimol/B4: 5.96566  Sterimol/L: 11.1504 
 
 Surface and Volume Properties
  Accessible surface: 423.091  Positive charged surface: 293.828  Negative charged surface: 129.263  Volume: 237.125
  Hydrophobic surface: 286.427  Hydrophilic surface: 136.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.