MMsINC Database Search


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MMsINC code: MMs00864723

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(Cc1nc2c(n1Cc1cc3c(cc1)cccc3)cccc2)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.591 kcal/mol

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

Topological Properties
Globularity: 0.0829538	Sterimol/B1: 3.41265	Sterimol/B2: 3.46701	Sterimol/B3: 4.32364
Sterimol/B4: 9.2757	Sterimol/L: 17.7738

Surface and Volume Properties
Accessible surface: 645.209	Positive charged surface: 389.36	Negative charged surface: 246.547	Volume: 392.125
Hydrophobic surface: 590.976	Hydrophilic surface: 54.233

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.