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CHEMBRIDGE-ZINC02489844

 MMsINC code: MMs00710709
Type: Neutral
Formula: C15H24Cl2N2
SMILES:   Clc1cc(Cl)ccc1CN(CCN(CC)CC)CC
InChI:   InChI=1/C15H24Cl2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)11-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.6175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.277 g/mol  logS: -3.60443  SlogP: 4.4235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242352  Sterimol/B1: 2.30791  Sterimol/B2: 5.14261  Sterimol/B3: 6.27571
  Sterimol/B4: 7.46983  Sterimol/L: 12.516 
 
 Surface and Volume Properties
  Accessible surface: 557.792  Positive charged surface: 334.466  Negative charged surface: 223.327  Volume: 304.75
  Hydrophobic surface: 486.549  Hydrophilic surface: 71.243
 
 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


MMs00710710
CHEMBRIDGE-ZINC02489844