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NANOSIN-ZINC00246000

 MMsINC code: MMs02191405
Type: Neutral
Formula: C14H20O2
SMILES:   Oc1ccc(cc1)C1CCC(CC1)COC
InChI:   InChI=1/C14H20O2/c1-16-10-11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h6-9,11-12,15H,2-5,10H2,1H3/t11-,12-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.312 g/mol  logS: -3.04776  SlogP: 3.3124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825134  Sterimol/B1: 2.67434  Sterimol/B2: 2.98437  Sterimol/B3: 3.75994
  Sterimol/B4: 4.23963  Sterimol/L: 15.6301 
 
 Surface and Volume Properties
  Accessible surface: 464.691  Positive charged surface: 358.582  Negative charged surface: 106.109  Volume: 234.75
  Hydrophobic surface: 408.094  Hydrophilic surface: 56.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.