MMsINC Database Search


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MMsINC code: MMs00286127

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(\N=C\c3c4c(ccc3O)cccc4)ccc1)cc(cc2C)C

InChI:

InChI=1/C26H20N2O2/c1-16-12-17(2)25-23(13-16)28-26(30-25)19-7-5-8-20(14-19)27-15-22-21-9-4-3-6-18(21)10-11-24(22)29/h3-15,29H,1-2H3/b27-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.145 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -8.77561	SlogP: 6.72104	Reactive groups: 0

Topological Properties
Globularity: 0.0298734	Sterimol/B1: 2.36984	Sterimol/B2: 2.95422	Sterimol/B3: 4.32226
Sterimol/B4: 8.51695	Sterimol/L: 20.2591

Surface and Volume Properties
Accessible surface: 701.9	Positive charged surface: 402.327	Negative charged surface: 287.895	Volume: 390
Hydrophobic surface: 617.112	Hydrophilic surface: 84.788

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.