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CHEMBRIDGE-ZINC02489847

 MMsINC code: MMs00710711
Type: Neutral
Formula: C17H29Cl2N3
SMILES:   Clc1cc(Cl)ccc1CN(CCCN(C)C)CCCN(C)C
InChI:   InChI=1/C17H29Cl2N3/c1-20(2)9-5-11-22(12-6-10-21(3)4)14-15-7-8-16(18)13-17(15)19/h7-8,13H,5-6,9-12,14H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.7882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.346 g/mol  logS: -2.92423  SlogP: 3.9652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122535  Sterimol/B1: 3.26286  Sterimol/B2: 4.27031  Sterimol/B3: 5.26034
  Sterimol/B4: 9.14182  Sterimol/L: 14.9125 
 
 Surface and Volume Properties
  Accessible surface: 636.998  Positive charged surface: 475.753  Negative charged surface: 161.245  Volume: 353.25
  Hydrophobic surface: 624.969  Hydrophilic surface: 12.029
 
 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


MMs00710712
CHEMBRIDGE-ZINC02489847