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NCID-ZINC01595602

 MMsINC code: MMs02249877
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C(CC(=O)C(CC(=O)C(C)C)C)C)CC
InChI:   InChI=1/C14H24O4/c1-6-18-14(17)11(5)8-13(16)10(4)7-12(15)9(2)3/h9-11H,6-8H2,1-5H3/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=28.1844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -1.33074  SlogP: 2.3961  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0486629  Sterimol/B1: 3.1769  Sterimol/B2: 3.34045  Sterimol/B3: 3.53485
  Sterimol/B4: 4.80449  Sterimol/L: 18.2703 
 
 Surface and Volume Properties
  Accessible surface: 541.735  Positive charged surface: 381.987  Negative charged surface: 159.748  Volume: 270.125
  Hydrophobic surface: 377.102  Hydrophilic surface: 164.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.