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PUBCHEM-ZINC00185257

 MMsINC code: MMs02637507
Type: Neutral
Formula: C15H19NO4
SMILES:   o1c2c(ccc(OC)c2)c(C)c1C(OCCN(C)C)=O
InChI:   InChI=1/C15H19NO4/c1-10-12-6-5-11(18-4)9-13(12)20-14(10)15(17)19-8-7-16(2)3/h5-6,9H,7-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.8488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.32 g/mol  logS: -3.4736  SlogP: 2.46822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364231  Sterimol/B1: 1.97996  Sterimol/B2: 3.47023  Sterimol/B3: 3.57321
  Sterimol/B4: 7.61715  Sterimol/L: 16.3117 
 
 Surface and Volume Properties
  Accessible surface: 545.631  Positive charged surface: 425.858  Negative charged surface: 114.372  Volume: 273.75
  Hydrophobic surface: 490.981  Hydrophilic surface: 54.65
 
 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


MMs02637508
PUBCHEM-ZINC00185257