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CHEMBLOCK-ZINC00033758

 MMsINC code: MMs00486447
Type: Neutral
Formula: C14H23NO4
SMILES:   O1CCCC1CNC(=O)C(C(OC)=O)C1CCCC1
InChI:   InChI=1/C14H23NO4/c1-18-14(17)12(10-5-2-3-6-10)13(16)15-9-11-7-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,16)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=39.5738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -2.90883  SlogP: 1.261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690345  Sterimol/B1: 1.97477  Sterimol/B2: 3.34315  Sterimol/B3: 3.88869
  Sterimol/B4: 8.33863  Sterimol/L: 15.283 
 
 Surface and Volume Properties
  Accessible surface: 528.281  Positive charged surface: 433.548  Negative charged surface: 94.7334  Volume: 268.875
  Hydrophobic surface: 468.713  Hydrophilic surface: 59.568
 
 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.