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ASINEX-ZINC00191695

 MMsINC code: MMs00088944
Type: Neutral
Formula: C18H10N2O5
SMILES:   Oc1ccc(N2C(=O)c3c4c(cccc4c([N+](=O)[O-])cc3)C2=O)cc1
InChI:   InChI=1/C18H10N2O5/c21-11-6-4-10(5-7-11)19-17(22)13-3-1-2-12-15(20(24)25)9-8-14(16(12)13)18(19)23/h1-9,21H

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Potential Energy
Epot(MMFF94)=120.26 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.287 g/mol  logS: -6.06475  SlogP: 3.2542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426178  Sterimol/B1: 2.44478  Sterimol/B2: 3.01868  Sterimol/B3: 3.73298
  Sterimol/B4: 7.29481  Sterimol/L: 16.2075 
 
 Surface and Volume Properties
  Accessible surface: 510.009  Positive charged surface: 231.934  Negative charged surface: 267.666  Volume: 279.75
  Hydrophobic surface: 326.975  Hydrophilic surface: 183.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.