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SIAL-ZINC02522505

 MMsINC code: MMs03914359
Type: Neutral
Formula: C15H24N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C15H24N2O5/c1-15(2,3)22-14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=65.3603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.366 g/mol  logS: -1.88275  SlogP: 1.4615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154506  Sterimol/B1: 2.37506  Sterimol/B2: 3.32629  Sterimol/B3: 6.25593
  Sterimol/B4: 6.87687  Sterimol/L: 14.3022 
 
 Surface and Volume Properties
  Accessible surface: 556.013  Positive charged surface: 408.44  Negative charged surface: 147.573  Volume: 302.375
  Hydrophobic surface: 395.511  Hydrophilic surface: 160.502
 
 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


MMs03914360
SIAL-ZINC02522505