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IBS-ZINC02278653

 MMsINC code: MMs01822395
Type: Neutral
Formula: C13H24N4O5
SMILES:   O=C1N(C)C(NC(OCCC)=O)C(NC(OCCC)=O)N1C
InChI:   InChI=1/C13H24N4O5/c1-5-7-21-11(18)14-9-10(15-12(19)22-8-6-2)17(4)13(20)16(9)3/h9-10H,5-8H2,1-4H3,(H,14,18)(H,15,19)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=-38.348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.358 g/mol  logS: -0.85939  SlogP: 0.9082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060722  Sterimol/B1: 2.30333  Sterimol/B2: 3.66351  Sterimol/B3: 3.88527
  Sterimol/B4: 9.74031  Sterimol/L: 17.0536 
 
 Surface and Volume Properties
  Accessible surface: 621.366  Positive charged surface: 481.886  Negative charged surface: 139.48  Volume: 302.375
  Hydrophobic surface: 428.762  Hydrophilic surface: 192.604
 
 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.