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NCID-ZINC05082347

 MMsINC code: MMs02438019
Type: Neutral
Formula: C14H23NO4
SMILES:   OC1C(CCCC1C)C(O)CC1CC(=O)NC(=O)C1
InChI:   InChI=1/C14H23NO4/c1-8-3-2-4-10(14(8)19)11(16)5-9-6-12(17)15-13(18)7-9/h8-11,14,16,19H,2-7H2,1H3,(H,15,17,18)/t8-,10-,11-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=31.3546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.48359  SlogP: 0.5873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102457  Sterimol/B1: 2.6822  Sterimol/B2: 3.40972  Sterimol/B3: 4.0089
  Sterimol/B4: 5.22628  Sterimol/L: 15.0362 
 
 Surface and Volume Properties
  Accessible surface: 482.439  Positive charged surface: 335.423  Negative charged surface: 147.016  Volume: 260.875
  Hydrophobic surface: 274.275  Hydrophilic surface: 208.164
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.