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NANOSIN-ZINC02026474

 MMsINC code: MMs02201681
Type: Neutral
Formula: C14H26N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NC(C(OC)=O)C
InChI:   InChI=1/C14H26N2O5/c1-8(2)10(16-13(19)21-14(4,5)6)11(17)15-9(3)12(18)20-7/h8-10H,1-7H3,(H,15,17)(H,16,19)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=57.1119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.371 g/mol  logS: -2.46026  SlogP: 1.2134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837923  Sterimol/B1: 2.52193  Sterimol/B2: 3.14255  Sterimol/B3: 4.45333
  Sterimol/B4: 6.87371  Sterimol/L: 17.6296 
 
 Surface and Volume Properties
  Accessible surface: 569.499  Positive charged surface: 409.271  Negative charged surface: 160.229  Volume: 299.125
  Hydrophobic surface: 368.883  Hydrophilic surface: 200.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.