MMsINC Database Search


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MMsINC code: MMs01779126

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

Oc1c2c(ccc1C=1NN(C(=O)c3ccccc3)C(C=1)c1ccccc1)cccc2

InChI:

InChI=1/C26H20N2O2/c29-25-21-14-8-7-9-18(21)15-16-22(25)23-17-24(19-10-3-1-4-11-19)28(27-23)26(30)20-12-5-2-6-13-20/h1-17,24,27,29H/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.494 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -6.89425	SlogP: 5.3837	Reactive groups: 0

Topological Properties
Globularity: 0.0795871	Sterimol/B1: 2.81352	Sterimol/B2: 2.95891	Sterimol/B3: 5.2532
Sterimol/B4: 11.0238	Sterimol/L: 16.4136

Surface and Volume Properties
Accessible surface: 660.274	Positive charged surface: 349.764	Negative charged surface: 299.117	Volume: 383.625
Hydrophobic surface: 590.03	Hydrophilic surface: 70.244

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.