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FDA-ZINC00968262

 MMsINC code: MMs01725392
Type: Neutral
Formula: C17H24O3
SMILES:   O(C(=O)C(O)c1ccccc1)C1CC(CC(C1)C)(C)C
InChI:   InChI=1/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3/t12-,14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.376 g/mol  logS: -4.58087  SlogP: 3.5735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317457  Sterimol/B1: 2.30937  Sterimol/B2: 2.38462  Sterimol/B3: 5.98031
  Sterimol/B4: 7.09496  Sterimol/L: 12.4011 
 
 Surface and Volume Properties
  Accessible surface: 496.387  Positive charged surface: 330.752  Negative charged surface: 165.634  Volume: 286.875
  Hydrophobic surface: 384.711  Hydrophilic surface: 111.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.