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IBS-ZINC02435327

 MMsINC code: MMs01863323
Type: Neutral
Formula: C13H26N2O4
SMILES:   O(CCCC)CCCNC(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C13H26N2O4/c1-4-5-8-19-9-6-7-14-13(18)15-11(10(2)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=6.93263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.361 g/mol  logS: -1.71953  SlogP: 1.6016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0257175  Sterimol/B1: 3.19647  Sterimol/B2: 3.44714  Sterimol/B3: 3.52497
  Sterimol/B4: 4.21755  Sterimol/L: 20.4061 
 
 Surface and Volume Properties
  Accessible surface: 587.14  Positive charged surface: 446.749  Negative charged surface: 140.391  Volume: 281
  Hydrophobic surface: 388.978  Hydrophilic surface: 198.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01863324
IBS-ZINC02435327