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OAKWOOD-ZINC02528673

 MMsINC code: MMs02544498
Type: Neutral
Formula: C14H22N4O5
SMILES:   O(C(C)(C)C)C(=O)NCCCC(=O)Nc1nc(n(c1)C)C(O)=O
InChI:   InChI=1/C14H22N4O5/c1-14(2,3)23-13(22)15-7-5-6-10(19)16-9-8-18(4)11(17-9)12(20)21/h8H,5-7H2,1-4H3,(H,15,22)(H,16,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=24.8231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.353 g/mol  logS: -1.51239  SlogP: 1.7209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187269  Sterimol/B1: 2.37491  Sterimol/B2: 3.20253  Sterimol/B3: 4.87432
  Sterimol/B4: 4.90052  Sterimol/L: 20.6314 
 
 Surface and Volume Properties
  Accessible surface: 614.901  Positive charged surface: 442.233  Negative charged surface: 172.667  Volume: 304.25
  Hydrophobic surface: 326.381  Hydrophilic surface: 288.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02544499
OAKWOOD-ZINC02528673