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AURORAFEINCHEMIE-ZINC02437042

 MMsINC code: MMs00453519
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)Nc1ccc(cc1)CCCC)C
InChI:   InChI=1/C14H20N2O3/c1-3-4-5-11-6-8-12(9-7-11)16-14(19)15-10(2)13(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.2354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -3.77082  SlogP: 2.62377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457433  Sterimol/B1: 2.44263  Sterimol/B2: 2.9024  Sterimol/B3: 4.31556
  Sterimol/B4: 5.04499  Sterimol/L: 18.568 
 
 Surface and Volume Properties
  Accessible surface: 541.952  Positive charged surface: 361.997  Negative charged surface: 179.954  Volume: 264.375
  Hydrophobic surface: 348.031  Hydrophilic surface: 193.921
 
 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


MMs00453520
AURORAFEINCHEMIE-ZINC02437042