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NCID-ZINC01597848

MMsINC code: MMs02251612

Type: Neutral
Formula: C10H20O4
SMILES:   O(C(=O)CCOCC)CCCCCO
InChI:   InChI=1/C10H20O4/c1-2-13-9-6-10(12)14-8-5-3-4-7-11/h11H,2-9H2,1H3

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Potential Energy
Epot(MMFF94)=8.03786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.266 g/mol  logS: -0.75325  SlogP: 1.1188  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0179875  Sterimol/B1: 2.24534  Sterimol/B2: 2.37521  Sterimol/B3: 2.37594
  Sterimol/B4: 3.60743  Sterimol/L: 19.1623 
 
 Surface and Volume Properties
  Accessible surface: 494.346  Positive charged surface: 397.008  Negative charged surface: 97.3378  Volume: 214.125
  Hydrophobic surface: 370.432  Hydrophilic surface: 123.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.