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CHEMBRIDGE-ZINC00307964

 MMsINC code: MMs00605600
Type: Neutral
Formula: C15H23NO3
SMILES:   O(C)c1cc(OC)ccc1C(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C15H23NO3/c1-10(2)16(11(3)4)15(17)13-8-7-12(18-5)9-14(13)19-6/h7-11H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=254.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -2.83462  SlogP: 2.9628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129092  Sterimol/B1: 2.34152  Sterimol/B2: 2.54739  Sterimol/B3: 5.44079
  Sterimol/B4: 7.94809  Sterimol/L: 13.937 
 
 Surface and Volume Properties
  Accessible surface: 500.992  Positive charged surface: 374.96  Negative charged surface: 126.032  Volume: 268.625
  Hydrophobic surface: 392.492  Hydrophilic surface: 108.5
 
 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: no related molecules available.