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NCID-ZINC01652005

 MMsINC code: MMs02291289
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)NC)C1CCCCC1
InChI:   InChI=1/C8H15NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.1766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.31107  SlogP: 1.6751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807676  Sterimol/B1: 2.83235  Sterimol/B2: 3.26499  Sterimol/B3: 3.66698
  Sterimol/B4: 3.94399  Sterimol/L: 12.4808 
 
 Surface and Volume Properties
  Accessible surface: 375.086  Positive charged surface: 305.246  Negative charged surface: 69.8401  Volume: 162.75
  Hydrophobic surface: 308.799  Hydrophilic surface: 66.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.