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NCID-ZINC01661068

 MMsINC code: MMs02298219
Type: Neutral
Formula: C9H17NO3
SMILES:   O(CCO)C(=O)NC1CCCCC1
InChI:   InChI=1/C9H17NO3/c11-6-7-13-9(12)10-8-4-2-1-3-5-8/h8,11H,1-7H2,(H,10,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.974695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -1.10853  SlogP: 1.0376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549863  Sterimol/B1: 2.82344  Sterimol/B2: 3.29149  Sterimol/B3: 3.55406
  Sterimol/B4: 3.90097  Sterimol/L: 13.7838 
 
 Surface and Volume Properties
  Accessible surface: 418.017  Positive charged surface: 334.462  Negative charged surface: 83.5545  Volume: 188.125
  Hydrophobic surface: 307.673  Hydrophilic surface: 110.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.