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NCID-ZINC01690993

 MMsINC code: MMs02323163
Type: Neutral
Formula: C5H10O2
SMILES:   OC1(CCC1)CO
InChI:   InChI=1/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.7991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: 0.06039  SlogP: -0.1063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30864  Sterimol/B1: 3.12349  Sterimol/B2: 3.16281  Sterimol/B3: 3.40487
  Sterimol/B4: 3.43493  Sterimol/L: 8.76222 
 
 Surface and Volume Properties
  Accessible surface: 275.124  Positive charged surface: 97.6894  Negative charged surface: 31.3773  Volume: 106
  Hydrophobic surface: 188.567  Hydrophilic surface: 86.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.