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ENAMINE-ZINC04932407

 MMsINC code: MMs01566187
Type: Neutral
Formula: C19H27NO4
SMILES:   O(CCCC)c1ccc(cc1)C(OC(C(=O)NC1CCCC1)C)=O
InChI:   InChI=1/C19H27NO4/c1-3-4-13-23-17-11-9-15(10-12-17)19(22)24-14(2)18(21)20-16-7-5-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,20,21)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.428 g/mol  logS: -4.31689  SlogP: 3.4696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264781  Sterimol/B1: 2.56946  Sterimol/B2: 3.71922  Sterimol/B3: 3.95114
  Sterimol/B4: 7.06933  Sterimol/L: 21.3972 
 
 Surface and Volume Properties
  Accessible surface: 658.019  Positive charged surface: 451.453  Negative charged surface: 206.566  Volume: 341.25
  Hydrophobic surface: 543.724  Hydrophilic surface: 114.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.