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IBS-ZINC00500911

 MMsINC code: MMs01741169
Type: Neutral
Formula: C11H20N4O5
SMILES:   O=C1N(CC(OC)=O)C(C)(C)C(N(O)C(=O)NC)N1C
InChI:   InChI=1/C11H20N4O5/c1-11(2)8(15(19)9(17)12-3)13(4)10(18)14(11)6-7(16)20-5/h8,19H,6H2,1-5H3,(H,12,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=61.2225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.304 g/mol  logS: -0.30169  SlogP: -0.3379  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.191256  Sterimol/B1: 3.01558  Sterimol/B2: 3.55204  Sterimol/B3: 5.126
  Sterimol/B4: 6.02441  Sterimol/L: 14.8114 
 
 Surface and Volume Properties
  Accessible surface: 507.249  Positive charged surface: 403.505  Negative charged surface: 103.744  Volume: 261.75
  Hydrophobic surface: 348.121  Hydrophilic surface: 159.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.