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ENAMINE-ZINC07015208

 MMsINC code: MMs01720551
Type: Neutral
Formula: C14H20N2O4
SMILES:   O(C(=O)c1ccc(NC(=O)CNC(CO)(C)C)cc1)C
InChI:   InChI=1/C14H20N2O4/c1-14(2,9-17)15-8-12(18)16-11-6-4-10(5-7-11)13(19)20-3/h4-7,15,17H,8-9H2,1-3H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.324 g/mol  logS: -2.18752  SlogP: 0.7722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300207  Sterimol/B1: 2.54961  Sterimol/B2: 3.47341  Sterimol/B3: 4.26873
  Sterimol/B4: 4.98994  Sterimol/L: 18.0501 
 
 Surface and Volume Properties
  Accessible surface: 547.582  Positive charged surface: 389.756  Negative charged surface: 157.826  Volume: 271.75
  Hydrophobic surface: 368.31  Hydrophilic surface: 179.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01720552
ENAMINE-ZINC07015208