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MMsINC code: MMs01825478

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O(C)c1cc(\C=N\n2c3c(c4c2cccc4)cccc3)c(O)cc1

InChI:

InChI=1/C20H16N2O2/c1-24-15-10-11-20(23)14(12-15)13-21-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13,23H,1H3/b21-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.566 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -5.11104	SlogP: 4.3909	Reactive groups: 0

Topological Properties
Globularity: 0.0708223	Sterimol/B1: 2.36711	Sterimol/B2: 5.43862	Sterimol/B3: 5.91113
Sterimol/B4: 6.02012	Sterimol/L: 15.9839

Surface and Volume Properties
Accessible surface: 571.922	Positive charged surface: 339.337	Negative charged surface: 222.124	Volume: 310.125
Hydrophobic surface: 520.002	Hydrophilic surface: 51.92

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.