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ENAMINE-ZINC03299460

 MMsINC code: MMs01357698
Type: Neutral
Formula: C17H25ClN2O
SMILES:   Clc1ccccc1CNC(=O)CNC1CCCCCCC1
InChI:   InChI=1/C17H25ClN2O/c18-16-11-7-6-8-14(16)12-20-17(21)13-19-15-9-4-2-1-3-5-10-15/h6-8,11,15,19H,1-5,9-10,12-13H2,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.853 g/mol  logS: -4.53382  SlogP: 3.9251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813148  Sterimol/B1: 2.57852  Sterimol/B2: 3.96872  Sterimol/B3: 4.05977
  Sterimol/B4: 5.81114  Sterimol/L: 16.7415 
 
 Surface and Volume Properties
  Accessible surface: 575.435  Positive charged surface: 366.136  Negative charged surface: 209.299  Volume: 309.25
  Hydrophobic surface: 511.215  Hydrophilic surface: 64.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01357699
ENAMINE-ZINC03299460