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NCID-ZINC01705937

 MMsINC code: MMs02334384
Type: Neutral
Formula: C15H11NO3
SMILES:   O=C(C)c1cc2Cc3cc([N+](=O)[O-])ccc3-c2cc1
InChI:   InChI=1/C15H11NO3/c1-9(17)10-2-4-14-11(6-10)7-12-8-13(16(18)19)3-5-15(12)14/h2-6,8H,7H2,1H3

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Potential Energy
Epot(MMFF94)=85.0883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.257 g/mol  logS: -5.38464  SlogP: 3.36857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00818999  Sterimol/B1: 2.37697  Sterimol/B2: 2.38014  Sterimol/B3: 3.64637
  Sterimol/B4: 4.31611  Sterimol/L: 15.888 
 
 Surface and Volume Properties
  Accessible surface: 457.223  Positive charged surface: 212.765  Negative charged surface: 232.735  Volume: 231.625
  Hydrophobic surface: 335.295  Hydrophilic surface: 121.928
 
 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.