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ASINEX-ZINC03010523

 MMsINC code: MMs00283328
Type: Neutral
Formula: C15H27N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C15H27N3O4/c1-9(2)11(17-14(21)22-15(3,4)5)13(20)18-8-6-7-10(18)12(16)19/h9-11H,6-8H2,1-5H3,(H2,16,19)(H,17,21)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=70.9932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.398 g/mol  logS: -2.44983  SlogP: 1.012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129076  Sterimol/B1: 2.54465  Sterimol/B2: 3.9398  Sterimol/B3: 4.20124
  Sterimol/B4: 7.98622  Sterimol/L: 15.1684 
 
 Surface and Volume Properties
  Accessible surface: 566.201  Positive charged surface: 399.559  Negative charged surface: 166.642  Volume: 307.875
  Hydrophobic surface: 341.749  Hydrophilic surface: 224.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.