MMsINC Database Search


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MMsINC code: MMs03033394

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C/1Nc2c(cccc2)\C\1=C/c1c2c(n(c1)Cc1ccccc1)cccc2

InChI:

InChI=1/C24H18N2O/c27-24-21(20-11-4-6-12-22(20)25-24)14-18-16-26(15-17-8-2-1-3-9-17)23-13-7-5-10-19(18)23/h1-14,16H,15H2,(H,25,27)/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.548 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.94449	SlogP: 5.4487	Reactive groups: 0

Topological Properties
Globularity: 0.172125	Sterimol/B1: 2.9196	Sterimol/B2: 3.69061	Sterimol/B3: 5.75181
Sterimol/B4: 8.92246	Sterimol/L: 15.2677

Surface and Volume Properties
Accessible surface: 597.599	Positive charged surface: 323.758	Negative charged surface: 269.876	Volume: 347.75
Hydrophobic surface: 506.504	Hydrophilic surface: 91.095

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