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PUBCHEM-ZINC03646641

 MMsINC code: MMs03033071
Type: Neutral
Formula: C15H29NO4
SMILES:   O(C(=O)C(N)CCC(OCC(C)(C)C)=O)CC(C)(C)C
InChI:   InChI=1/C15H29NO4/c1-14(2,3)9-19-12(17)8-7-11(16)13(18)20-10-15(4,5)6/h11H,7-10,16H2,1-6H3/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.5579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.4 g/mol  logS: -2.04697  SlogP: 2.2725  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0485809  Sterimol/B1: 3.19722  Sterimol/B2: 3.57407  Sterimol/B3: 4.41647
  Sterimol/B4: 5.3367  Sterimol/L: 17.9508 
 
 Surface and Volume Properties
  Accessible surface: 607.032  Positive charged surface: 435.037  Negative charged surface: 171.996  Volume: 307.625
  Hydrophobic surface: 383.516  Hydrophilic surface: 223.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.