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PUBCHEM-ZINC03652677

 MMsINC code: MMs03034569
Type: Neutral
Formula: C18H27NO5
SMILES:   O(CC(OC(=O)C(O)=O)CNC(C)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H27NO5/c1-12(2)19-10-15(24-17(22)16(20)21)11-23-14-8-6-13(7-9-14)18(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,20,21)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.0924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.416 g/mol  logS: -4.28021  SlogP: 2.3573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401684  Sterimol/B1: 2.2302  Sterimol/B2: 2.61753  Sterimol/B3: 4.05371
  Sterimol/B4: 9.19615  Sterimol/L: 17.9361 
 
 Surface and Volume Properties
  Accessible surface: 644.483  Positive charged surface: 417.182  Negative charged surface: 227.301  Volume: 337.5
  Hydrophobic surface: 403.3  Hydrophilic surface: 241.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.