MMsINC Database Search


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MMsINC code: MMs00146468

Type: Neutral
Formula: C₂₆H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3cc4c(cc3OC)cccc4)c(cc1)C)cccc2

InChI:

InChI=1/C26H20N2O3/c1-16-11-12-19(26-28-21-9-5-6-10-23(21)31-26)14-22(16)27-25(29)20-13-17-7-3-4-8-18(17)15-24(20)30-2/h3-15H,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.752 kcal/mol

Physical Properties
Molecular Weight: 408.457 g/mol	logS: -8.75927	SlogP: 6.21732	Reactive groups: 0

Topological Properties
Globularity: 0.0221816	Sterimol/B1: 2.29679	Sterimol/B2: 2.95371	Sterimol/B3: 3.69686
Sterimol/B4: 10.1008	Sterimol/L: 20.1927

Surface and Volume Properties
Accessible surface: 704.783	Positive charged surface: 420.258	Negative charged surface: 273.614	Volume: 390.875
Hydrophobic surface: 638.407	Hydrophilic surface: 66.376

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.