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PUBCHEM-ZINC05963743

 MMsINC code: MMs03464120
Type: Neutral
Formula: C14H18N2O3
SMILES:   O=C1N(C(Cc2ccccc2)C(O)=O)C(NC1)(C)C
InChI:   InChI=1/C14H18N2O3/c1-14(2)15-9-12(17)16(14)11(13(18)19)8-10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H,18,19)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.309 g/mol  logS: -2.10849  SlogP: 0.85017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.356714  Sterimol/B1: 2.86233  Sterimol/B2: 3.41671  Sterimol/B3: 4.97266
  Sterimol/B4: 6.94993  Sterimol/L: 11.0936 
 
 Surface and Volume Properties
  Accessible surface: 449.099  Positive charged surface: 280.686  Negative charged surface: 168.413  Volume: 253.375
  Hydrophobic surface: 292.029  Hydrophilic surface: 157.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03464121
PUBCHEM-ZINC05963743