MMsINC Database Search


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MMsINC code: MMs01372802

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(Nc1ccccc1-c1ccccc1)c1cc(nc2c1cccc2)C

InChI:

InChI=1/C23H18N2O/c1-16-15-20(19-12-6-8-14-22(19)24-16)23(26)25-21-13-7-5-11-18(21)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.695 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.68318	SlogP: 5.46252	Reactive groups: 0

Topological Properties
Globularity: 0.0486112	Sterimol/B1: 2.06595	Sterimol/B2: 2.16965	Sterimol/B3: 4.5221
Sterimol/B4: 9.83268	Sterimol/L: 14.8997

Surface and Volume Properties
Accessible surface: 589.357	Positive charged surface: 328.099	Negative charged surface: 251.959	Volume: 339.125
Hydrophobic surface: 553.439	Hydrophilic surface: 35.918

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