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SIAL-ZINC03150129

 MMsINC code: MMs03915481
Type: Ionized
Formula: C15H23N2O5-
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)/p-1/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=58.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.358 g/mol  logS: -2.1432  SlogP: 0.1268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106551  Sterimol/B1: 2.06255  Sterimol/B2: 4.19693  Sterimol/B3: 5.54835
  Sterimol/B4: 6.4561  Sterimol/L: 14.6767 
 
 Surface and Volume Properties
  Accessible surface: 553.482  Positive charged surface: 383.274  Negative charged surface: 170.208  Volume: 294.25
  Hydrophobic surface: 399.145  Hydrophilic surface: 154.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03915480
SIAL-ZINC03150129