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NCID-ZINC01661400

 MMsINC code: MMs02298516
Type: Neutral
Formula: C14H22O5
SMILES:   O=C1CCCC(C(C(OCC)=O)C(OCC)=O)C1C
InChI:   InChI=1/C14H22O5/c1-4-18-13(16)12(14(17)19-5-2)10-7-6-8-11(15)9(10)3/h9-10,12H,4-8H2,1-3H3/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=40.4501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.325 g/mol  logS: -2.0569  SlogP: 1.7341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189332  Sterimol/B1: 2.67161  Sterimol/B2: 4.05189  Sterimol/B3: 4.4572
  Sterimol/B4: 7.5191  Sterimol/L: 13.0763 
 
 Surface and Volume Properties
  Accessible surface: 510.436  Positive charged surface: 366.749  Negative charged surface: 143.687  Volume: 264.125
  Hydrophobic surface: 370.905  Hydrophilic surface: 139.531
 
 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.