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PUBCHEM-ZINC04681012

 MMsINC code: MMs03155074
Type: Neutral
Formula: C18H28N2O3
SMILES:   O(CCCC)CCCNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChI:   InChI=1/C18H28N2O3/c1-4-5-12-23-13-6-11-19-18(22)15-7-9-16(10-8-15)20-17(21)14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,22)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.7398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.433 g/mol  logS: -3.53261  SlogP: 3.2177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013698  Sterimol/B1: 2.26435  Sterimol/B2: 3.28935  Sterimol/B3: 3.45436
  Sterimol/B4: 5.84412  Sterimol/L: 24.1364 
 
 Surface and Volume Properties
  Accessible surface: 674.973  Positive charged surface: 486.452  Negative charged surface: 188.521  Volume: 334.875
  Hydrophobic surface: 528.089  Hydrophilic surface: 146.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.