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NCID-ZINC01556153

MMsINC code: MMs02219690

Type: Neutral
Formula: C14H14Cl2N2
SMILES:   Clc1ccc(N(N(C)c2ccc(Cl)cc2)C)cc1
InChI:   InChI=1/C14H14Cl2N2/c1-17(13-7-3-11(15)4-8-13)18(2)14-9-5-12(16)6-10-14/h3-10H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=71.9132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.186 g/mol  logS: -4.14066  SlogP: 4.481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259121  Sterimol/B1: 2.2309  Sterimol/B2: 2.43433  Sterimol/B3: 5.44646
  Sterimol/B4: 6.55654  Sterimol/L: 14.1475 
 
 Surface and Volume Properties
  Accessible surface: 489.737  Positive charged surface: 243.129  Negative charged surface: 246.609  Volume: 261.625
  Hydrophobic surface: 489.737  Hydrophilic surface: 0
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.