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CHEMDIV-ZINC03902288

 MMsINC code: MMs00918447
Type: Neutral
Formula: C15H27NO4
SMILES:   O(C(=O)C1NC(CCC1)C(OCCCC)=O)CCCC
InChI:   InChI=1/C15H27NO4/c1-3-5-10-19-14(17)12-8-7-9-13(16-12)15(18)20-11-6-4-2/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=55.7474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.384 g/mol  logS: -3.01637  SlogP: 2.1837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493042  Sterimol/B1: 2.60123  Sterimol/B2: 3.57718  Sterimol/B3: 3.83661
  Sterimol/B4: 7.47721  Sterimol/L: 19.0436 
 
 Surface and Volume Properties
  Accessible surface: 604.892  Positive charged surface: 462.244  Negative charged surface: 142.647  Volume: 296.375
  Hydrophobic surface: 479.402  Hydrophilic surface: 125.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.