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PUBCHEM-ZINC05735917

 MMsINC code: MMs03365815
Type: Neutral
Formula: C14H23NO3
SMILES:   O(C(=O)C1NC(=O)CC1)C1CC(CC(C1)C)(C)C
InChI:   InChI=1/C14H23NO3/c1-9-6-10(8-14(2,3)7-9)18-13(17)11-4-5-12(16)15-11/h9-11H,4-8H2,1-3H3,(H,15,16)/t9-,10-,11+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -3.42061  SlogP: 2.023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171472  Sterimol/B1: 2.10583  Sterimol/B2: 3.54606  Sterimol/B3: 4.18287
  Sterimol/B4: 7.23222  Sterimol/L: 13.8257 
 
 Surface and Volume Properties
  Accessible surface: 474.71  Positive charged surface: 337.891  Negative charged surface: 136.819  Volume: 255.75
  Hydrophobic surface: 323.193  Hydrophilic surface: 151.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.