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CHEMDIV-ZINC03907858

 MMsINC code: MMs00919890
Type: Neutral
Formula: C15H18N2O3
SMILES:   o1nc(cc1-c1ccc(OC)cc1)C(=O)N(CC)CC
InChI:   InChI=1/C15H18N2O3/c1-4-17(5-2)15(18)13-10-14(20-16-13)11-6-8-12(19-3)9-7-11/h6-10H,4-5H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.32 g/mol  logS: -3.32427  SlogP: 2.8322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266574  Sterimol/B1: 2.15769  Sterimol/B2: 2.37208  Sterimol/B3: 4.02585
  Sterimol/B4: 6.0481  Sterimol/L: 17.6978 
 
 Surface and Volume Properties
  Accessible surface: 521.594  Positive charged surface: 351.567  Negative charged surface: 170.027  Volume: 271.125
  Hydrophobic surface: 426.229  Hydrophilic surface: 95.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.