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PUBCHEM-ZINC05675019

 MMsINC code: MMs03343629
Type: Neutral
Formula: C14H21NO4
SMILES:   O(C(=O)C1CC=CCC1C(O)=O)C1CCN(CC1)C
InChI:   InChI=1/C14H21NO4/c1-15-8-6-10(7-9-15)19-14(18)12-5-3-2-4-11(12)13(16)17/h2-3,10-12H,4-9H2,1H3,(H,16,17)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=19.9747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -0.37628  SlogP: 1.2908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951716  Sterimol/B1: 3.61567  Sterimol/B2: 3.84014  Sterimol/B3: 4.2345
  Sterimol/B4: 5.51243  Sterimol/L: 13.2953 
 
 Surface and Volume Properties
  Accessible surface: 494.058  Positive charged surface: 395.926  Negative charged surface: 98.1322  Volume: 260
  Hydrophobic surface: 378.582  Hydrophilic surface: 115.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.