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PUBCHEM-ZINC06274079

 MMsINC code: MMs03652761
Type: Neutral
Formula: C13H26N2O3
SMILES:   OC(=O)C(NC(=O)N(CCC)CCC)CC(C)C
InChI:   InChI=1/C13H26N2O3/c1-5-7-15(8-6-2)13(18)14-11(12(16)17)9-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.2597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.11156  SlogP: 2.3173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139522  Sterimol/B1: 3.47324  Sterimol/B2: 4.26917  Sterimol/B3: 4.40663
  Sterimol/B4: 7.29771  Sterimol/L: 14.0541 
 
 Surface and Volume Properties
  Accessible surface: 528.783  Positive charged surface: 368.787  Negative charged surface: 159.996  Volume: 275.375
  Hydrophobic surface: 337.52  Hydrophilic surface: 191.263
 
 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


MMs03652762
PUBCHEM-ZINC06274079