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NCID-ZINC01597285

 MMsINC code: MMs02251170
Type: Neutral
Formula: C10H18O2
SMILES:   O(C=O)C1CCCCC1C(C)C
InChI:   InChI=1/C10H18O2/c1-8(2)9-5-3-4-6-10(9)12-7-11/h7-10H,3-6H2,1-2H3/t9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -2.59834  SlogP: 2.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259705  Sterimol/B1: 2.54123  Sterimol/B2: 4.01691  Sterimol/B3: 4.05429
  Sterimol/B4: 6.44275  Sterimol/L: 9.99362 
 
 Surface and Volume Properties
  Accessible surface: 376.793  Positive charged surface: 265.836  Negative charged surface: 110.957  Volume: 184.625
  Hydrophobic surface: 267.551  Hydrophilic surface: 109.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.