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NCID-ZINC01692480

 MMsINC code: MMs02324178
Type: Neutral
Formula: C10H14O
SMILES:   Oc1ccc(cc1CCC)C
InChI:   InChI=1/C10H14O/c1-3-4-9-7-8(2)5-6-10(9)11/h5-7,11H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.68776  SlogP: 2.65309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664096  Sterimol/B1: 2.51919  Sterimol/B2: 3.11601  Sterimol/B3: 3.17982
  Sterimol/B4: 5.14983  Sterimol/L: 11.3621 
 
 Surface and Volume Properties
  Accessible surface: 370.311  Positive charged surface: 242.025  Negative charged surface: 128.286  Volume: 168.625
  Hydrophobic surface: 309.897  Hydrophilic surface: 60.414
 
 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.