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ACROSORGANICS-ZINC02149356

 MMsINC code: MMs00012945
Type: Neutral
Formula: C9H15NO3
SMILES:   O(C(=O)C(=O)N1CCCCC1)CC
InChI:   InChI=1/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.5717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.223 g/mol  logS: -1.14665  SlogP: 0.562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614627  Sterimol/B1: 2.74215  Sterimol/B2: 3.50302  Sterimol/B3: 3.6663
  Sterimol/B4: 4.2183  Sterimol/L: 13.059 
 
 Surface and Volume Properties
  Accessible surface: 400.07  Positive charged surface: 303.346  Negative charged surface: 96.7237  Volume: 182.5
  Hydrophobic surface: 303.41  Hydrophilic surface: 96.66
 
 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.