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PUBCHEM-ZINC06247432

 MMsINC code: MMs03637104
Type: Neutral
Formula: C18H25NO3
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C1C2CC(C1)CC2
InChI:   InChI=1/C18H25NO3/c1-21-16-6-4-12(11-17(16)22-2)7-8-19-18(20)15-10-13-3-5-14(15)9-13/h4,6,11,13-15H,3,5,7-10H2,1-2H3,(H,19,20)/t13-,14+,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.402 g/mol  logS: -3.96094  SlogP: 2.79867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461665  Sterimol/B1: 2.45957  Sterimol/B2: 2.89792  Sterimol/B3: 4.13336
  Sterimol/B4: 7.12062  Sterimol/L: 18.4282 
 
 Surface and Volume Properties
  Accessible surface: 593.707  Positive charged surface: 466.586  Negative charged surface: 127.121  Volume: 311.625
  Hydrophobic surface: 539.42  Hydrophilic surface: 54.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.