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CHEMDIV-ZINC00038611

 MMsINC code: MMs00829617
Type: Neutral
Formula: C15H18N2O4
SMILES:   OC(=O)C1CCCCC1C(=O)Nc1ccc(cc1)C(=O)N
InChI:   InChI=1/C15H18N2O4/c16-13(18)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)15(20)21/h5-8,11-12H,1-4H2,(H2,16,18)(H,17,19)(H,20,21)/t11-,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.93071  SlogP: 1.615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619956  Sterimol/B1: 2.2912  Sterimol/B2: 4.44831  Sterimol/B3: 4.70522
  Sterimol/B4: 4.80622  Sterimol/L: 16.3125 
 
 Surface and Volume Properties
  Accessible surface: 514.463  Positive charged surface: 331.539  Negative charged surface: 182.924  Volume: 269.125
  Hydrophobic surface: 310.052  Hydrophilic surface: 204.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00829618
CHEMDIV-ZINC00038611