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PUBCHEM-ZINC00200523

MMsINC code: MMs02638749

Type: Neutral
Formula: C14H20Cl2N2
SMILES:   Clc1cc(ccc1Cl)CN(C)C1CCN(CC1)C
InChI:   InChI=1/C14H20Cl2N2/c1-17-7-5-12(6-8-17)18(2)10-11-3-4-13(15)14(16)9-11/h3-4,9,12H,5-8,10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=51.9373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.234 g/mol  logS: -3.17518  SlogP: 3.7858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867802  Sterimol/B1: 3.20683  Sterimol/B2: 3.65455  Sterimol/B3: 3.99967
  Sterimol/B4: 4.25113  Sterimol/L: 16.3113 
 
 Surface and Volume Properties
  Accessible surface: 504.415  Positive charged surface: 327.687  Negative charged surface: 176.728  Volume: 275.125
  Hydrophobic surface: 496.888  Hydrophilic surface: 7.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02638750
PUBCHEM-ZINC00200523