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PUBCHEM-ZINC01846033

 MMsINC code: MMs02823986
Type: Neutral
Formula: C19H26N2O
SMILES:   O=C(N)C(C(C)C)(CCN(C)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H26N2O/c1-14(2)19(18(20)22,12-13-21(3)4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14H,12-13H2,1-4H3,(H2,20,22)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.43 g/mol  logS: -4.78278  SlogP: 3.1706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.383848  Sterimol/B1: 2.21857  Sterimol/B2: 3.53935  Sterimol/B3: 6.07864
  Sterimol/B4: 8.15792  Sterimol/L: 12.3738 
 
 Surface and Volume Properties
  Accessible surface: 518.894  Positive charged surface: 370.388  Negative charged surface: 142.761  Volume: 307.5
  Hydrophobic surface: 423.239  Hydrophilic surface: 95.655
 
 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


MMs02823987
PUBCHEM-ZINC01846033