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NCID-ZINC01678262

 MMsINC code: MMs02313074
Type: Neutral
Formula: C14H23NO3
SMILES:   O(C)c1cc(cc(OC)c1)C(O)C(NC(C)C)C
InChI:   InChI=1/C14H23NO3/c1-9(2)15-10(3)14(16)11-6-12(17-4)8-13(7-11)18-5/h6-10,14-16H,1-5H3/t10-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.00523  SlogP: 2.2192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666765  Sterimol/B1: 2.41563  Sterimol/B2: 3.33013  Sterimol/B3: 4.57133
  Sterimol/B4: 6.24168  Sterimol/L: 14.3059 
 
 Surface and Volume Properties
  Accessible surface: 507.649  Positive charged surface: 378.737  Negative charged surface: 128.912  Volume: 263.875
  Hydrophobic surface: 384.606  Hydrophilic surface: 123.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02313075
NCID-ZINC01678262