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NCID-ZINC05573055

 MMsINC code: MMs02476587
Type: Neutral
Formula: C19H23NO2
SMILES:   O(C(CCN(C)C)c1ccccc1)C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H23NO2/c1-15-9-11-17(12-10-15)19(21)22-18(13-14-20(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -4.10809  SlogP: 3.94032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14504  Sterimol/B1: 3.49533  Sterimol/B2: 4.41201  Sterimol/B3: 5.58455
  Sterimol/B4: 7.65263  Sterimol/L: 13.7301 
 
 Surface and Volume Properties
  Accessible surface: 597.316  Positive charged surface: 402.384  Negative charged surface: 194.932  Volume: 317.375
  Hydrophobic surface: 569.287  Hydrophilic surface: 28.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02476588
NCID-ZINC05573055