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PUBCHEM-ZINC06071908

 MMsINC code: MMs03524773
Type: Neutral
Formula: C14H21NO2
SMILES:   O1CC(C1)(CN(C)C)COc1ccccc1C
InChI:   InChI=1/C14H21NO2/c1-12-6-4-5-7-13(12)17-11-14(8-15(2)3)9-16-10-14/h4-7H,8-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.327 g/mol  logS: -1.73599  SlogP: 1.95202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114341  Sterimol/B1: 2.77749  Sterimol/B2: 3.27337  Sterimol/B3: 4.35476
  Sterimol/B4: 6.74672  Sterimol/L: 13.3191 
 
 Surface and Volume Properties
  Accessible surface: 474.727  Positive charged surface: 325.918  Negative charged surface: 109.031  Volume: 250.5
  Hydrophobic surface: 421.868  Hydrophilic surface: 52.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03524774
PUBCHEM-ZINC06071908