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ENAMINE-ZINC01101491

 MMsINC code: MMs01238224
Type: Neutral
Formula: C14H11Cl3N4O2
SMILES:   Clc1cccc(Cl)c1Cn1c2c(nc1Cl)N(C)C(=O)N(C)C2=O
InChI:   InChI=1/C14H11Cl3N4O2/c1-19-11-10(12(22)20(2)14(19)23)21(13(17)18-11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.627 g/mol  logS: -5.26084  SlogP: 3.7998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119627  Sterimol/B1: 2.54378  Sterimol/B2: 3.02541  Sterimol/B3: 4.87475
  Sterimol/B4: 6.71953  Sterimol/L: 13.3064 
 
 Surface and Volume Properties
  Accessible surface: 505.253  Positive charged surface: 280.874  Negative charged surface: 224.379  Volume: 292
  Hydrophobic surface: 408.494  Hydrophilic surface: 96.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.