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PUBCHEM-ZINC02033198

 MMsINC code: MMs02859762
Type: Neutral
Formula: C15H23ClN2O
SMILES:   Clc1cccc(C)c1NC(=O)CN(CCC)CCC
InChI:   InChI=1/C15H23ClN2O/c1-4-9-18(10-5-2)11-14(19)17-15-12(3)7-6-8-13(15)16/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.815 g/mol  logS: -3.43758  SlogP: 3.70892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140205  Sterimol/B1: 2.41374  Sterimol/B2: 4.30831  Sterimol/B3: 4.47657
  Sterimol/B4: 8.21865  Sterimol/L: 14.784 
 
 Surface and Volume Properties
  Accessible surface: 552.056  Positive charged surface: 360.908  Negative charged surface: 191.148  Volume: 289.5
  Hydrophobic surface: 485.669  Hydrophilic surface: 66.387
 
 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


MMs02859763
PUBCHEM-ZINC02033198