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ASINEX-ZINC00030377

 MMsINC code: MMs00060213
Type: Neutral
Formula: C10H20N2O2
SMILES:   O1CCN(CC1)C(=O)NC(CCC)C
InChI:   InChI=1/C10H20N2O2/c1-3-4-9(2)11-10(13)12-5-7-14-8-6-12/h9H,3-8H2,1-2H3,(H,11,13)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.2905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.16123  SlogP: 1.2168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125773  Sterimol/B1: 2.29963  Sterimol/B2: 3.24895  Sterimol/B3: 3.69239
  Sterimol/B4: 6.05401  Sterimol/L: 13.286 
 
 Surface and Volume Properties
  Accessible surface: 437.866  Positive charged surface: 353.933  Negative charged surface: 83.9333  Volume: 211.625
  Hydrophobic surface: 351.762  Hydrophilic surface: 86.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.