MMsINC Database Search


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MMsINC code: MMs00679902

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O(c1ccccc1C(OC)=O)c1nc(cc(n1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N2O3/c1-28-23(27)19-14-8-9-15-22(19)29-24-25-20(17-10-4-2-5-11-17)16-21(26-24)18-12-6-3-7-13-18/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.575 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -7.84428	SlogP: 5.3895	Reactive groups: 0

Topological Properties
Globularity: 0.195518	Sterimol/B1: 2.31502	Sterimol/B2: 2.45811	Sterimol/B3: 8.15371
Sterimol/B4: 10.6216	Sterimol/L: 16.272

Surface and Volume Properties
Accessible surface: 662.723	Positive charged surface: 378.373	Negative charged surface: 272.969	Volume: 369.75
Hydrophobic surface: 611.698	Hydrophilic surface: 51.025

Pharmacophoric Properties
Hydrogen bond donors: 0	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.