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PUBCHEM-ZINC06616359

 MMsINC code: MMs03821607
Type: Neutral
Formula: C15H26N2O5
SMILES:   O(CC(=O)N1CCCC1)CC(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C15H26N2O5/c1-11(2)8-12(15(20)21-3)16-13(18)9-22-10-14(19)17-6-4-5-7-17/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=77.0436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.382 g/mol  logS: -2.4923  SlogP: 0.3293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491892  Sterimol/B1: 2.13765  Sterimol/B2: 3.30232  Sterimol/B3: 4.72511
  Sterimol/B4: 7.93463  Sterimol/L: 17.6396 
 
 Surface and Volume Properties
  Accessible surface: 628.833  Positive charged surface: 481.757  Negative charged surface: 147.075  Volume: 311.875
  Hydrophobic surface: 471.758  Hydrophilic surface: 157.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.