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NCID-ZINC04919283

 MMsINC code: MMs02416255
Type: Neutral
Formula: C15H29ClN2O
SMILES:   ClCCNC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C15H29ClN2O/c16-12-13-17-15(19)18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H2,17,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.6846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.863 g/mol  logS: -4.93207  SlogP: 4.1977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.421151  Sterimol/B1: 2.53658  Sterimol/B2: 5.04354  Sterimol/B3: 5.04738
  Sterimol/B4: 6.90677  Sterimol/L: 13.5906 
 
 Surface and Volume Properties
  Accessible surface: 532.591  Positive charged surface: 359.969  Negative charged surface: 172.623  Volume: 301.25
  Hydrophobic surface: 423.086  Hydrophilic surface: 109.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.