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CHEMBRIDGE-ZINC02472231

 MMsINC code: MMs00709902
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)C(NC(=O)CCCCC)CC
InChI:   InChI=1/C10H19NO3/c1-3-5-6-7-9(12)11-8(4-2)10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.04272  SlogP: 1.5461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447674  Sterimol/B1: 2.85661  Sterimol/B2: 3.12639  Sterimol/B3: 4.06406
  Sterimol/B4: 4.58209  Sterimol/L: 15.2282 
 
 Surface and Volume Properties
  Accessible surface: 448.474  Positive charged surface: 327.746  Negative charged surface: 120.729  Volume: 208
  Hydrophobic surface: 281.015  Hydrophilic surface: 167.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00709903
CHEMBRIDGE-ZINC02472231