MMsINC Database Search


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MMsINC code: MMs00681774

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(Cc1nc2c(n1Cc1c3c(ccc1)cccc3)cccc2)c1ccc(OC)cc1

InChI:

InChI=1/C26H22N2O2/c1-29-21-13-15-22(16-14-21)30-18-26-27-24-11-4-5-12-25(24)28(26)17-20-9-6-8-19-7-2-3-10-23(19)20/h2-16H,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.127 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -7.04485	SlogP: 6.3582	Reactive groups: 0

Topological Properties
Globularity: 0.0702904	Sterimol/B1: 3.11561	Sterimol/B2: 4.36836	Sterimol/B3: 6.03626
Sterimol/B4: 6.26057	Sterimol/L: 17.5452

Surface and Volume Properties
Accessible surface: 640.416	Positive charged surface: 380.626	Negative charged surface: 249.818	Volume: 388.875
Hydrophobic surface: 585.825	Hydrophilic surface: 54.591

Pharmacophoric Properties
Hydrogen bond donors: 0	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.