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NCID-ZINC05722589

 MMsINC code: MMs02489442
Type: Neutral
Formula: C19H22N2O2
SMILES:   O1c2c(cccc2C)C(NC(=O)CCN(C)C)c2c1cccc2
InChI:   InChI=1/C19H22N2O2/c1-13-7-6-9-15-18(20-17(22)11-12-21(2)3)14-8-4-5-10-16(14)23-19(13)15/h4-10,18H,11-12H2,1-3H3,(H,20,22)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.5028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -3.78814  SlogP: 3.35352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468952  Sterimol/B1: 3.20798  Sterimol/B2: 3.71644  Sterimol/B3: 5.07841
  Sterimol/B4: 7.13951  Sterimol/L: 16.7522 
 
 Surface and Volume Properties
  Accessible surface: 583.015  Positive charged surface: 406.796  Negative charged surface: 176.22  Volume: 314.125
  Hydrophobic surface: 550.063  Hydrophilic surface: 32.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02489443
NCID-ZINC05722589