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PUBCHEM-ZINC05973016

 MMsINC code: MMs03468517
Type: Neutral
Formula: C15H26O4
SMILES:   OC1C(CC(CC1C)C(=O)CCCCCC)C(O)=O
InChI:   InChI=1/C15H26O4/c1-3-4-5-6-7-13(16)11-8-10(2)14(17)12(9-11)15(18)19/h10-12,14,17H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=70.2519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -2.45408  SlogP: 2.6337  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0891732  Sterimol/B1: 3.36043  Sterimol/B2: 3.99628  Sterimol/B3: 4.50784
  Sterimol/B4: 4.70354  Sterimol/L: 16.1651 
 
 Surface and Volume Properties
  Accessible surface: 510.873  Positive charged surface: 375.073  Negative charged surface: 135.8  Volume: 274.625
  Hydrophobic surface: 343.07  Hydrophilic surface: 167.803
 
 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


MMs03468518
PUBCHEM-ZINC05973016