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ENAMINE-ZINC03400130

 MMsINC code: MMs01419521
Type: Neutral
Formula: C17H25N3O4
SMILES:   O(C(=O)c1cc(N(C)C)ccc1)CC(=O)NC(=O)NCCC(C)C
InChI:   InChI=1/C17H25N3O4/c1-12(2)8-9-18-17(23)19-15(21)11-24-16(22)13-6-5-7-14(10-13)20(3)4/h5-7,10,12H,8-9,11H2,1-4H3,(H2,18,19,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.404 g/mol  logS: -3.65454  SlogP: 1.7813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00925888  Sterimol/B1: 2.38635  Sterimol/B2: 3.65109  Sterimol/B3: 3.66727
  Sterimol/B4: 4.92622  Sterimol/L: 22.8606 
 
 Surface and Volume Properties
  Accessible surface: 655.441  Positive charged surface: 479.025  Negative charged surface: 176.416  Volume: 331.25
  Hydrophobic surface: 468.229  Hydrophilic surface: 187.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.