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CHEMSTAR-ZINC02737735

 MMsINC code: MMs01081947
Type: Neutral
Formula: C14H20N2O3
SMILES:   O=C(N(C(C)C)C(C)C)c1cc(C)c([N+](=O)[O-])cc1
InChI:   InChI=1/C14H20N2O3/c1-9(2)15(10(3)4)14(17)12-6-7-13(16(18)19)11(5)8-12/h6-10H,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=306.561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -3.68456  SlogP: 3.16222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114993  Sterimol/B1: 2.41324  Sterimol/B2: 3.75267  Sterimol/B3: 4.04249
  Sterimol/B4: 5.94255  Sterimol/L: 13.5889 
 
 Surface and Volume Properties
  Accessible surface: 469.202  Positive charged surface: 251.439  Negative charged surface: 217.763  Volume: 254.5
  Hydrophobic surface: 296.023  Hydrophilic surface: 173.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.