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NCID-ZINC01661367

 MMsINC code: MMs02298494
Type: Neutral
Formula: C19H18O2
SMILES:   OC(=O)CCCc1c2c(c3c(cc2)cccc3)c(cc1)C
InChI:   InChI=1/C19H18O2/c1-13-9-10-15(6-4-8-18(20)21)17-12-11-14-5-2-3-7-16(14)19(13)17/h2-3,5,7,9-12H,4,6,8H2,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.351 g/mol  logS: -6.04257  SlogP: 4.70869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105433  Sterimol/B1: 2.80461  Sterimol/B2: 3.66446  Sterimol/B3: 3.7761
  Sterimol/B4: 7.61234  Sterimol/L: 14.6347 
 
 Surface and Volume Properties
  Accessible surface: 521.016  Positive charged surface: 295.91  Negative charged surface: 209.082  Volume: 281.5
  Hydrophobic surface: 421.527  Hydrophilic surface: 99.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02298495
NCID-ZINC01661367