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AURORAFEINCHEMIE-ZINC04089075

 MMsINC code: MMs00468355
Type: Neutral
Formula: C14H25N3O4
SMILES:   OC(=O)C(NC(=O)C1CCC(CC1)CNC(=O)C(N)C)C
InChI:   InChI=1/C14H25N3O4/c1-8(15)12(18)16-7-10-3-5-11(6-4-10)13(19)17-9(2)14(20)21/h8-11H,3-7,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9+,10-,11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -1.06603  SlogP: -0.1545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306636  Sterimol/B1: 2.53459  Sterimol/B2: 2.83321  Sterimol/B3: 3.23482
  Sterimol/B4: 6.94124  Sterimol/L: 17.6847 
 
 Surface and Volume Properties
  Accessible surface: 566.931  Positive charged surface: 406.458  Negative charged surface: 160.474  Volume: 291.625
  Hydrophobic surface: 305.406  Hydrophilic surface: 261.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.