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NCID-ZINC01605928

 MMsINC code: MMs02258057
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)COCCCC)CCCC
InChI:   InChI=1/C10H20O3/c1-3-5-7-12-9-10(11)13-8-6-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -2.22975  SlogP: 2.1464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0193574  Sterimol/B1: 2.37507  Sterimol/B2: 2.37601  Sterimol/B3: 2.5167
  Sterimol/B4: 3.41208  Sterimol/L: 18.2043 
 
 Surface and Volume Properties
  Accessible surface: 480.936  Positive charged surface: 376.401  Negative charged surface: 104.534  Volume: 208.375
  Hydrophobic surface: 384.401  Hydrophilic surface: 96.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.