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PUBCHEM-ZINC05382479

 MMsINC code: MMs03253007
Type: Neutral
Formula: C10H17NO3
SMILES:   OC(=O)CCCC(=O)NC1CCCC1
InChI:   InChI=1/C10H17NO3/c12-9(6-3-7-10(13)14)11-8-4-1-2-5-8/h8H,1-7H2,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.57042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -0.68048  SlogP: 1.3001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0450413  Sterimol/B1: 2.41689  Sterimol/B2: 2.85627  Sterimol/B3: 3.2473
  Sterimol/B4: 4.46091  Sterimol/L: 15.2664 
 
 Surface and Volume Properties
  Accessible surface: 440.434  Positive charged surface: 321.164  Negative charged surface: 119.27  Volume: 198.75
  Hydrophobic surface: 298.498  Hydrophilic surface: 141.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03253008
PUBCHEM-ZINC05382479