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AURORAFEINCHEMIE-ZINC00541329

 MMsINC code: MMs00447513
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)Nc1cc(C)c(cc1)C)Cc1ccccc1
InChI:   InChI=1/C18H20N2O3/c1-12-8-9-15(10-13(12)2)19-18(23)20-16(17(21)22)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,21,22)(H2,19,20,23)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.9605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -4.20124  SlogP: 3.12081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714758  Sterimol/B1: 3.15015  Sterimol/B2: 4.2674  Sterimol/B3: 5.71003
  Sterimol/B4: 6.03192  Sterimol/L: 14.8545 
 
 Surface and Volume Properties
  Accessible surface: 587.645  Positive charged surface: 344.159  Negative charged surface: 243.486  Volume: 306.125
  Hydrophobic surface: 455.933  Hydrophilic surface: 131.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00447514
AURORAFEINCHEMIE-ZINC00541329