MMsINC Database Search


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MMsINC code: MMs01902463

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc2c(cc1)cccc2

InChI:

InChI=1/C26H18N2O2/c29-24-12-6-3-8-19(24)14-16-25-27-23-11-5-4-10-22(23)26(30)28(25)21-15-13-18-7-1-2-9-20(18)17-21/h1-17,29H/b16-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.386 kcal/mol

Physical Properties
Molecular Weight: 390.442 g/mol	logS: -7.69897	SlogP: 5.9492	Reactive groups: 0

Topological Properties
Globularity: 0.0932595	Sterimol/B1: 2.097	Sterimol/B2: 3.9129	Sterimol/B3: 4.59454
Sterimol/B4: 11.5878	Sterimol/L: 15.6392

Surface and Volume Properties
Accessible surface: 662.32	Positive charged surface: 350.563	Negative charged surface: 304.145	Volume: 377
Hydrophobic surface: 575.867	Hydrophilic surface: 86.453

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: 0

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Ions/Tautomers related molecules: no related molecules available.