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CHEMDIV-ZINC00572387

MMsINC code: MMs00855492

Type: Neutral
Formula: C23H22N2O
SMILES:   O(C)c1ccc(cc1)Cc1nc2c(n1Cc1ccc(cc1)C)cccc2
InChI:   InChI=1/C23H22N2O/c1-17-7-9-19(10-8-17)16-25-22-6-4-3-5-21(22)24-23(25)15-18-11-13-20(26-2)14-12-18/h3-14H,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=88.5457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.442 g/mol  logS: -5.62554  SlogP: 5.25879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.085495  Sterimol/B1: 2.46821  Sterimol/B2: 3.12057  Sterimol/B3: 4.3427
  Sterimol/B4: 9.65052  Sterimol/L: 17.8539 
 
 Surface and Volume Properties
  Accessible surface: 627.297  Positive charged surface: 388.657  Negative charged surface: 238.639  Volume: 354
  Hydrophobic surface: 589.017  Hydrophilic surface: 38.28
 
 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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.