MMsINC Database Search


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MMsINC code: MMs02150259

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

O(c1ccccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C26H22N2O3/c29-26(28-24-13-7-8-14-25(24)31-23-11-5-2-6-12-23)27-21-15-17-22(18-16-21)30-19-20-9-3-1-4-10-20/h1-18H,19H2,(H2,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.034 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -6.85304	SlogP: 6.9683	Reactive groups: 0

Topological Properties
Globularity: 0.0304517	Sterimol/B1: 3.73376	Sterimol/B2: 3.98744	Sterimol/B3: 4.30437
Sterimol/B4: 5.45055	Sterimol/L: 24.0275

Surface and Volume Properties
Accessible surface: 744.006	Positive charged surface: 428.645	Negative charged surface: 315.361	Volume: 401.875
Hydrophobic surface: 675.084	Hydrophilic surface: 68.922

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.