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PUBCHEM-ZINC05783660

 MMsINC code: MMs03384403
Type: Neutral
Formula: C11H21N3O5
SMILES:   O(C(=O)NOCC(NC(=O)C)C(=O)NCCCC)C
InChI:   InChI=1/C11H21N3O5/c1-4-5-6-12-10(16)9(13-8(2)15)7-19-14-11(17)18-3/h9H,4-7H2,1-3H3,(H,12,16)(H,13,15)(H,14,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.305 g/mol  logS: -1.49119  SlogP: -0.305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374119  Sterimol/B1: 3.09733  Sterimol/B2: 3.13443  Sterimol/B3: 3.20314
  Sterimol/B4: 8.18627  Sterimol/L: 17.5701 
 
 Surface and Volume Properties
  Accessible surface: 571.914  Positive charged surface: 434.891  Negative charged surface: 137.022  Volume: 260.375
  Hydrophobic surface: 384.47  Hydrophilic surface: 187.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.