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NCID-ZINC01694316

MMsINC code: MMs02325542

Type: Neutral
Formula: C8H15NO2
SMILES:   O1CCN(CC1=O)CCCC
InChI:   InChI=1/C8H15NO2/c1-2-3-4-9-5-6-11-8(10)7-9/h2-7H2,1H3

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=40.8366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.08964  SlogP: 0.6453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803388  Sterimol/B1: 2.76039  Sterimol/B2: 3.3501  Sterimol/B3: 3.8867
  Sterimol/B4: 4.18802  Sterimol/L: 12.0806 
 
 Surface and Volume Properties
  Accessible surface: 367.714  Positive charged surface: 283.518  Negative charged surface: 84.1953  Volume: 164.5
  Hydrophobic surface: 274.944  Hydrophilic surface: 92.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.