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CHEMBRIDGE-ZINC02899136

 MMsINC code: MMs00738502
Type: Neutral
Formula: C15H23Cl2NO
SMILES:   Clc1c(OCCCCCNCCCC)cccc1Cl
InChI:   InChI=1/C15H23Cl2NO/c1-2-3-10-18-11-5-4-6-12-19-14-9-7-8-13(16)15(14)17/h7-9,18H,2-6,10-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.4936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.261 g/mol  logS: -4.32029  SlogP: 4.9322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122718  Sterimol/B1: 2.3892  Sterimol/B2: 2.41681  Sterimol/B3: 4.34573
  Sterimol/B4: 4.7346  Sterimol/L: 21.7106 
 
 Surface and Volume Properties
  Accessible surface: 614.612  Positive charged surface: 391.513  Negative charged surface: 223.099  Volume: 303.25
  Hydrophobic surface: 571.037  Hydrophilic surface: 43.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00738503
CHEMBRIDGE-ZINC02899136