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PUBCHEM-ZINC02047819

 MMsINC code: MMs02865586
Type: Neutral
Formula: C10H19NO4
SMILES:   OC(=O)CCC(N)CCCCCC(O)=O
InChI:   InChI=1/C10H19NO4/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h8H,1-7,11H2,(H,12,13)(H,14,15)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.2078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.35972  SlogP: 1.2136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341286  Sterimol/B1: 2.82081  Sterimol/B2: 2.87926  Sterimol/B3: 3.04556
  Sterimol/B4: 4.07985  Sterimol/L: 17.7709 
 
 Surface and Volume Properties
  Accessible surface: 466.93  Positive charged surface: 332.747  Negative charged surface: 134.183  Volume: 215.5
  Hydrophobic surface: 224.92  Hydrophilic surface: 242.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02865587
PUBCHEM-ZINC02047819