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PUBCHEM-ZINC00896942

 MMsINC code: MMs02741786
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC1c2c(N(c3c(cccc3)C1O)C(=O)N)cccc2
InChI:   InChI=1/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=113.304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -2.94293  SlogP: 2.1748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241022  Sterimol/B1: 2.77556  Sterimol/B2: 3.59419  Sterimol/B3: 5.13235
  Sterimol/B4: 5.64938  Sterimol/L: 12.1796 
 
 Surface and Volume Properties
  Accessible surface: 443.37  Positive charged surface: 269.43  Negative charged surface: 173.94  Volume: 246
  Hydrophobic surface: 301.176  Hydrophilic surface: 142.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.