MMsINC Database Search


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MMsINC code: MMs00918435

Type: Neutral
Formula: C₂₂H₁₆N₂O₃

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(O)cc1

InChI:

InChI=1/C22H16N2O3/c25-17-10-5-15(6-11-17)7-14-21-23-20-4-2-1-3-19(20)22(27)24(21)16-8-12-18(26)13-9-16/h1-14,25-26H/b14-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.841 kcal/mol

Physical Properties
Molecular Weight: 356.381 g/mol	logS: -5.45914	SlogP: 4.5016	Reactive groups: 0

Topological Properties
Globularity: 0.0456022	Sterimol/B1: 3.60971	Sterimol/B2: 3.61157	Sterimol/B3: 3.64973
Sterimol/B4: 9.2862	Sterimol/L: 16.8269

Surface and Volume Properties
Accessible surface: 611.443	Positive charged surface: 338.663	Negative charged surface: 272.78	Volume: 337.375
Hydrophobic surface: 468.548	Hydrophilic surface: 142.895

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.