MMsINC Database Search


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MMsINC code: MMs00390144

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccccc1C

InChI:

InChI=1/C23H18N2O2/c1-16-6-2-5-9-21(16)25-22(15-12-17-10-13-18(26)14-11-17)24-20-8-4-3-7-19(20)23(25)27/h2-15,26H,1H3/b15-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.77 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.98156	SlogP: 5.10442	Reactive groups: 0

Topological Properties
Globularity: 0.0870044	Sterimol/B1: 2.243	Sterimol/B2: 4.68846	Sterimol/B3: 6.24294
Sterimol/B4: 7.62545	Sterimol/L: 16.8045

Surface and Volume Properties
Accessible surface: 612.895	Positive charged surface: 334.355	Negative charged surface: 278.539	Volume: 347
Hydrophobic surface: 527.96	Hydrophilic surface: 84.935

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.