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ENAMINE-ZINC03544191

 MMsINC code: MMs01499774
Type: Neutral
Formula: C16H24N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NC1CCCC1
InChI:   InChI=1/C16H24N2O4/c1-9-14(11(3)19)10(2)17-15(9)16(21)22-8-13(20)18-12-6-4-5-7-12/h11-12,17,19H,4-8H2,1-3H3,(H,18,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=49.6977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.378 g/mol  logS: -2.06333  SlogP: 1.99594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325136  Sterimol/B1: 1.99859  Sterimol/B2: 3.05713  Sterimol/B3: 3.93432
  Sterimol/B4: 7.22006  Sterimol/L: 18.5185 
 
 Surface and Volume Properties
  Accessible surface: 582.943  Positive charged surface: 401.219  Negative charged surface: 181.724  Volume: 306.125
  Hydrophobic surface: 419.562  Hydrophilic surface: 163.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.