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PUBCHEM-ZINC05592086

 MMsINC code: MMs03316281
Type: Neutral
Formula: C10H17NO3
SMILES:   O(C(=O)C(=O)N1CCCCCC1)CC
InChI:   InChI=1/C10H17NO3/c1-2-14-10(13)9(12)11-7-5-3-4-6-8-11/h2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.34842  SlogP: 0.9521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890992  Sterimol/B1: 2.94389  Sterimol/B2: 3.75107  Sterimol/B3: 3.78045
  Sterimol/B4: 4.33756  Sterimol/L: 12.8546 
 
 Surface and Volume Properties
  Accessible surface: 415.603  Positive charged surface: 317.183  Negative charged surface: 98.4195  Volume: 196.875
  Hydrophobic surface: 327.836  Hydrophilic surface: 87.767
 
 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.