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PUBCHEM-ZINC04679971

 MMsINC code: MMs03154616
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)CCC(=O)NCCN1CCCC1
InChI:   InChI=1/C10H18N2O3/c13-9(3-4-10(14)15)11-5-8-12-6-1-2-7-12/h1-8H2,(H,11,13)(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.07002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: 0.02694  SlogP: 0.0632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316787  Sterimol/B1: 2.23996  Sterimol/B2: 2.71198  Sterimol/B3: 3.25243
  Sterimol/B4: 4.42332  Sterimol/L: 16.4851 
 
 Surface and Volume Properties
  Accessible surface: 459.668  Positive charged surface: 355.323  Negative charged surface: 104.345  Volume: 210.375
  Hydrophobic surface: 307.032  Hydrophilic surface: 152.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.