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AURORAFEINCHEMIE-ZINC02105520

 MMsINC code: MMs00450117
Type: Neutral
Formula: C20H24N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCc1ccccc1)C)Cc1ccccc1
InChI:   InChI=1/C20H24N2O3/c1-15(12-13-16-8-4-2-5-9-16)21-20(25)22-18(19(23)24)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,24)(H2,21,22,25)/t15-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -3.78789  SlogP: 3.00274  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0855326  Sterimol/B1: 1.969  Sterimol/B2: 3.46924  Sterimol/B3: 4.11607
  Sterimol/B4: 10.0621  Sterimol/L: 16.064 
 
 Surface and Volume Properties
  Accessible surface: 631.276  Positive charged surface: 379.18  Negative charged surface: 252.095  Volume: 346.625
  Hydrophobic surface: 487.123  Hydrophilic surface: 144.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00450118
AURORAFEINCHEMIE-ZINC02105520