MMsINC Database Search


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MMsINC code: MMs00705866

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

Oc1ccccc1\C=N\c1ccc(cc1)-c1ccc(\N=C\c2ccccc2O)cc1

InChI:

InChI=1/C26H20N2O2/c29-25-7-3-1-5-21(25)17-27-23-13-9-19(10-14-23)20-11-15-24(16-12-20)28-18-22-6-2-4-8-26(22)30/h1-18,29-30H/b27-17+,28-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.663 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -6.93684	SlogP: 6.266	Reactive groups: 0

Topological Properties
Globularity: 0.0195779	Sterimol/B1: 2.14407	Sterimol/B2: 2.97887	Sterimol/B3: 4.72025
Sterimol/B4: 4.80852	Sterimol/L: 24.7425

Surface and Volume Properties
Accessible surface: 711.435	Positive charged surface: 401.992	Negative charged surface: 298.972	Volume: 390.625
Hydrophobic surface: 609.817	Hydrophilic surface: 101.618

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.