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VITASM-ZINC04784822

 MMsINC code: MMs03965709
Type: Neutral
Formula: C14H24N2O5
SMILES:   O(CC)C(=O)N1CCC(NC(=O)CC(CC(O)=O)C)CC1
InChI:   InChI=1/C14H24N2O5/c1-3-21-14(20)16-6-4-11(5-7-16)15-12(17)8-10(2)9-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=4.15112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -1.26277  SlogP: 1.2244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426458  Sterimol/B1: 2.14111  Sterimol/B2: 3.11579  Sterimol/B3: 3.5317
  Sterimol/B4: 6.55305  Sterimol/L: 19.2601 
 
 Surface and Volume Properties
  Accessible surface: 575.207  Positive charged surface: 433.48  Negative charged surface: 141.726  Volume: 288.375
  Hydrophobic surface: 374.985  Hydrophilic surface: 200.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03965710
VITASM-ZINC04784822