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NCID-ZINC01724298

 MMsINC code: MMs02348307
Type: Neutral
Formula: C19H22N2O
SMILES:   O=C1N(c2c(-c3c1cccc3)cccc2)CCN(CC)CC
InChI:   InChI=1/C19H22N2O/c1-3-20(4-2)13-14-21-18-12-8-7-10-16(18)15-9-5-6-11-17(15)19(21)22/h5-12H,3-4,13-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.3732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.398 g/mol  logS: -4.58207  SlogP: 3.6556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593096  Sterimol/B1: 2.4218  Sterimol/B2: 4.34879  Sterimol/B3: 5.01016
  Sterimol/B4: 5.82858  Sterimol/L: 15.0829 
 
 Surface and Volume Properties
  Accessible surface: 544.553  Positive charged surface: 340.114  Negative charged surface: 194.135  Volume: 307.125
  Hydrophobic surface: 473.212  Hydrophilic surface: 71.341
 
 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


MMs02348308
NCID-ZINC01724298