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PUBCHEM-ZINC01205164

 MMsINC code: MMs02787493
Type: Neutral
Formula: C11H11Cl2NO2
SMILES:   ClC1(Cl)CC1Cc1ccc(cc1[N+](=O)[O-])C
InChI:   InChI=1/C11H11Cl2NO2/c1-7-2-3-8(10(4-7)14(15)16)5-9-6-11(9,12)13/h2-4,9H,5-6H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.9906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.12 g/mol  logS: -4.69752  SlogP: 4.05939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092714  Sterimol/B1: 3.42124  Sterimol/B2: 4.08371  Sterimol/B3: 4.17043
  Sterimol/B4: 5.50743  Sterimol/L: 12.0195 
 
 Surface and Volume Properties
  Accessible surface: 438.252  Positive charged surface: 172.012  Negative charged surface: 266.241  Volume: 222.375
  Hydrophobic surface: 243.111  Hydrophilic surface: 195.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.