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NCID-ZINC01649607

 MMsINC code: MMs02289568
Type: Neutral
Formula: C19H23NO2
SMILES:   O(c1ccc(cc1)C(=O)CCN(CC)CC)c1ccccc1
InChI:   InChI=1/C19H23NO2/c1-3-20(4-2)15-14-19(21)16-10-12-18(13-11-16)22-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.90673  SlogP: 4.3935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599535  Sterimol/B1: 2.12573  Sterimol/B2: 2.93826  Sterimol/B3: 4.89449
  Sterimol/B4: 6.64286  Sterimol/L: 17.9968 
 
 Surface and Volume Properties
  Accessible surface: 598.462  Positive charged surface: 381.983  Negative charged surface: 216.478  Volume: 315.125
  Hydrophobic surface: 521.978  Hydrophilic surface: 76.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02289569
NCID-ZINC01649607