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PHARMEK-ZINC01840345

 MMsINC code: MMs02622948
Type: Neutral
Formula: C15H20N2O4
SMILES:   OC(=O)CNC(=O)CNC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C15H20N2O4/c1-15(2,3)11-6-4-10(5-7-11)14(21)17-8-12(18)16-9-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.719  SlogP: 0.9147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243913  Sterimol/B1: 2.37511  Sterimol/B2: 4.00699  Sterimol/B3: 4.37972
  Sterimol/B4: 4.87412  Sterimol/L: 18.908 
 
 Surface and Volume Properties
  Accessible surface: 555.814  Positive charged surface: 349.435  Negative charged surface: 206.379  Volume: 284
  Hydrophobic surface: 299.676  Hydrophilic surface: 256.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02622949
PHARMEK-ZINC01840345