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AURORAFEINCHEMIE-ZINC04083814

 MMsINC code: MMs00467575
Type: Neutral
Formula: C15H25N3O5
SMILES:   O=C1NC(CC1)C(=O)NC(CC(C)C)C(=O)NCC(OCC)=O
InChI:   InChI=1/C15H25N3O5/c1-4-23-13(20)8-16-14(21)11(7-9(2)3)18-15(22)10-5-6-12(19)17-10/h9-11H,4-8H2,1-3H3,(H,16,21)(H,17,19)(H,18,22)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=74.6625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.381 g/mol  logS: -2.63558  SlogP: -0.5248  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0522221  Sterimol/B1: 2.8172  Sterimol/B2: 3.20733  Sterimol/B3: 3.89242
  Sterimol/B4: 6.3912  Sterimol/L: 19.4191 
 
 Surface and Volume Properties
  Accessible surface: 605.433  Positive charged surface: 417.008  Negative charged surface: 188.425  Volume: 313.75
  Hydrophobic surface: 356.118  Hydrophilic surface: 249.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.