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PUBCHEM-ZINC05783374

 MMsINC code: MMs03384282
Type: Neutral
Formula: C10H21ClN2O
SMILES:   ClCCNC(=O)NC(CCCCC)C
InChI:   InChI=1/C10H21ClN2O/c1-3-4-5-6-9(2)13-10(14)12-8-7-11/h9H,3-8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.1991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.744 g/mol  logS: -2.77146  SlogP: 2.4932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0549504  Sterimol/B1: 2.71117  Sterimol/B2: 2.75769  Sterimol/B3: 3.1939
  Sterimol/B4: 7.05394  Sterimol/L: 15.8583 
 
 Surface and Volume Properties
  Accessible surface: 496.464  Positive charged surface: 342.572  Negative charged surface: 153.892  Volume: 230.5
  Hydrophobic surface: 322.556  Hydrophilic surface: 173.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.