MMsINC Database Search


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MMsINC code: MMs00910026

Type: Neutral
Formula: C₂₄H₁₈N₄O₃

SMILES:

O(c1ccc(cc1)C(=O)Nc1ncccc1)c1ccc(cc1)C(=O)Nc1ncccc1

InChI:

InChI=1/C24H18N4O3/c29-23(27-21-5-1-3-15-25-21)17-7-11-19(12-8-17)31-20-13-9-18(10-14-20)24(30)28-22-6-2-4-16-26-22/h1-16H,(H,25,27,29)(H,26,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.758 kcal/mol

Physical Properties
Molecular Weight: 410.433 g/mol	logS: -5.21381	SlogP: 4.7735	Reactive groups: 0

Topological Properties
Globularity: 0.02528	Sterimol/B1: 3.52643	Sterimol/B2: 4.22743	Sterimol/B3: 4.5064
Sterimol/B4: 5.81327	Sterimol/L: 23.8308

Surface and Volume Properties
Accessible surface: 709.155	Positive charged surface: 422.511	Negative charged surface: 286.644	Volume: 384
Hydrophobic surface: 596.598	Hydrophilic surface: 112.557

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.