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PUBCHEM-ZINC02184706

 MMsINC code: MMs02883037
Type: Neutral
Formula: C14H23NO3
SMILES:   O(C)c1c(OC)c(OC)ccc1CNC(C)(C)C
InChI:   InChI=1/C14H23NO3/c1-14(2,3)15-9-10-7-8-11(16-4)13(18-6)12(10)17-5/h7-8,15H,9H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.25815  SlogP: 2.8669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129475  Sterimol/B1: 3.24596  Sterimol/B2: 4.11156  Sterimol/B3: 4.33427
  Sterimol/B4: 5.01152  Sterimol/L: 14.1451 
 
 Surface and Volume Properties
  Accessible surface: 515.543  Positive charged surface: 416.212  Negative charged surface: 99.3305  Volume: 266.875
  Hydrophobic surface: 430.15  Hydrophilic surface: 85.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02883038
PUBCHEM-ZINC02184706