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PUBCHEM-ZINC06043198

 MMsINC code: MMs03509724
Type: Neutral
Formula: C15H20ClNO
SMILES:   Clc1cc(ccc1)\C=C\C(=O)N(CCC)CCC
InChI:   InChI=1/C15H20ClNO/c1-3-10-17(11-4-2)15(18)9-8-13-6-5-7-14(16)12-13/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.9378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.784 g/mol  logS: -3.72309  SlogP: 4.0018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490457  Sterimol/B1: 2.18617  Sterimol/B2: 2.66493  Sterimol/B3: 3.58678
  Sterimol/B4: 7.85903  Sterimol/L: 15.386 
 
 Surface and Volume Properties
  Accessible surface: 528.213  Positive charged surface: 296.878  Negative charged surface: 231.335  Volume: 273.5
  Hydrophobic surface: 454.108  Hydrophilic surface: 74.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.