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NCID-ZINC01719225

 MMsINC code: MMs02344403
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCCCC(O)=O)CCCC
InChI:   InChI=1/C10H18O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h2-8H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=0.653247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.20613  SlogP: 1.9747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0201409  Sterimol/B1: 2.37535  Sterimol/B2: 2.3754  Sterimol/B3: 2.83001
  Sterimol/B4: 3.61518  Sterimol/L: 18.0257 
 
 Surface and Volume Properties
  Accessible surface: 468.517  Positive charged surface: 340.617  Negative charged surface: 127.9  Volume: 207.75
  Hydrophobic surface: 306.227  Hydrophilic surface: 162.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02344404
NCID-ZINC01719225