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NCID-ZINC01684704

 MMsINC code: MMs02318051
Type: Neutral
Formula: C10H18O3
SMILES:   O(C(=O)CCCCCCCC=O)C
InChI:   InChI=1/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.18615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.251 g/mol  logS: -1.7443  SlogP: 2.089  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0277547  Sterimol/B1: 2.47805  Sterimol/B2: 2.57698  Sterimol/B3: 2.72342
  Sterimol/B4: 3.20196  Sterimol/L: 17.2893 
 
 Surface and Volume Properties
  Accessible surface: 455.12  Positive charged surface: 355.233  Negative charged surface: 99.8865  Volume: 200.125
  Hydrophobic surface: 346.082  Hydrophilic surface: 109.038
 
 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.