MMsINC Database Search


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MMsINC code: MMs03954219

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

O(c1c2ncccc2ccc1)c1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.61 kcal/mol

Physical Properties
Molecular Weight: 390.442 g/mol	logS: -7.604	SlogP: 6.4326	Reactive groups: 0

Topological Properties
Globularity: 0.0373501	Sterimol/B1: 4.15409	Sterimol/B2: 4.29666	Sterimol/B3: 4.29838
Sterimol/B4: 4.3922	Sterimol/L: 22.6979

Surface and Volume Properties
Accessible surface: 675.017	Positive charged surface: 370.356	Negative charged surface: 287.961	Volume: 375
Hydrophobic surface: 619.894	Hydrophilic surface: 55.123

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.