MMsINC Database Search


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MMsINC code: MMs00620482

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O/c26-23(19-11-10-17-6-4-5-7-18(17)16-19)25-22-14-12-21(13-15-22)24-20-8-2-1-3-9-20/h1-16,24H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.648 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.85307	SlogP: 5.8357	Reactive groups: 0

Topological Properties
Globularity: 0.0104711	Sterimol/B1: 2.42314	Sterimol/B2: 2.73955	Sterimol/B3: 2.78021
Sterimol/B4: 6.99703	Sterimol/L: 20.2446

Surface and Volume Properties
Accessible surface: 611.603	Positive charged surface: 332.275	Negative charged surface: 270.18	Volume: 338.875
Hydrophobic surface: 555.252	Hydrophilic surface: 56.351

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.