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PUBCHEM-ZINC05524208

 MMsINC code: MMs03297055
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)N)(CCCCCC)C
InChI:   InChI=1/C10H20N2O3/c1-3-4-5-6-7-10(2,8(13)14)12-9(11)15/h3-7H2,1-2H3,(H,13,14)(H3,11,12,15)/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.48106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -2.62323  SlogP: 1.4684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08389  Sterimol/B1: 3.34201  Sterimol/B2: 3.55859  Sterimol/B3: 3.56845
  Sterimol/B4: 3.9443  Sterimol/L: 15.5772 
 
 Surface and Volume Properties
  Accessible surface: 454.883  Positive charged surface: 331.489  Negative charged surface: 123.394  Volume: 216
  Hydrophobic surface: 233.492  Hydrophilic surface: 221.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03297056
PUBCHEM-ZINC05524208