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NCID-ZINC05699675

 MMsINC code: MMs02486328
Type: Neutral
Formula: C20H25NO
SMILES:   OC1C(CC(N(C)C1C)C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H25NO/c1-15-14-20(17-10-6-4-7-11-17,18-12-8-5-9-13-18)19(22)16(2)21(15)3/h4-13,15-16,19,22H,14H2,1-3H3/t15-,16-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.426 g/mol  logS: -3.63731  SlogP: 3.4461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314512  Sterimol/B1: 3.14416  Sterimol/B2: 4.68311  Sterimol/B3: 5.76799
  Sterimol/B4: 5.99252  Sterimol/L: 12.8268 
 
 Surface and Volume Properties
  Accessible surface: 501.771  Positive charged surface: 335.702  Negative charged surface: 166.069  Volume: 307
  Hydrophobic surface: 449.387  Hydrophilic surface: 52.384
 
 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


MMs02486329
NCID-ZINC05699675