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NCID-ZINC01692479

 MMsINC code: MMs02324177
Type: Neutral
Formula: C10H14O
SMILES:   Oc1c(cccc1C)CCC
InChI:   InChI=1/C10H14O/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7,11H,3,5H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.9121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.37431  SlogP: 2.65309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777956  Sterimol/B1: 2.47438  Sterimol/B2: 3.11402  Sterimol/B3: 3.27681
  Sterimol/B4: 5.02898  Sterimol/L: 11.392 
 
 Surface and Volume Properties
  Accessible surface: 366.405  Positive charged surface: 242.784  Negative charged surface: 123.621  Volume: 168.125
  Hydrophobic surface: 311.062  Hydrophilic surface: 55.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.