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NCID-ZINC04962966

 MMsINC code: MMs02419582
Type: Neutral
Formula: C18H25NO2
SMILES:   O(C)c1cc2c(CCC3C(CCCC23C)(C(=O)N)C)cc1
InChI:   InChI=1/C18H25NO2/c1-17-9-4-10-18(2,16(19)20)15(17)8-6-12-5-7-13(21-3)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3,(H2,19,20)/t15-,17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.403 g/mol  logS: -4.88025  SlogP: 3.19077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119976  Sterimol/B1: 2.00328  Sterimol/B2: 4.04914  Sterimol/B3: 5.24891
  Sterimol/B4: 5.37296  Sterimol/L: 14.7675 
 
 Surface and Volume Properties
  Accessible surface: 492.899  Positive charged surface: 357.349  Negative charged surface: 135.55  Volume: 292.375
  Hydrophobic surface: 373.214  Hydrophilic surface: 119.685
 
 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.