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NCID-ZINC04533925

 MMsINC code: MMs02390186
Type: Neutral
Formula: C12H21N3O5
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)C)C
InChI:   InChI=1/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=54.0385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.316 g/mol  logS: -1.50541  SlogP: -1.3066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502212  Sterimol/B1: 2.13595  Sterimol/B2: 3.08042  Sterimol/B3: 4.9396
  Sterimol/B4: 5.02088  Sterimol/L: 19.0407 
 
 Surface and Volume Properties
  Accessible surface: 563.204  Positive charged surface: 383.958  Negative charged surface: 179.246  Volume: 275.875
  Hydrophobic surface: 351.371  Hydrophilic surface: 211.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.