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NCID-ZINC05080544

 MMsINC code: MMs02437185
Type: Neutral
Formula: C22H14Cl2N2O4
SMILES:   Clc1ccc(cc1)\C=C/c1cc(\C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])cc1[N
+](=O)[O-]
InChI:   InChI=1/C22H14Cl2N2O4/c23-19-9-3-15(4-10-19)1-7-17-13-18(8-2-16-5-11-20(24)12-6-16)22(26(29)30)14-21(17)25(27)28/h1-14H/b7-1-,8-2-

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Potential Energy
Epot(MMFF94)=178.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.27 g/mol  logS: -9.55538  SlogP: 7.1506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.692889  Sterimol/B1: 4.03946  Sterimol/B2: 4.42101  Sterimol/B3: 6.1432
  Sterimol/B4: 8.57062  Sterimol/L: 12.2197 
 
 Surface and Volume Properties
  Accessible surface: 609.132  Positive charged surface: 220.158  Negative charged surface: 388.974  Volume: 370.5
  Hydrophobic surface: 468.203  Hydrophilic surface: 140.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.