MMsINC Database Search


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MMsINC code: MMs00281464

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(Nc1ccc(cc1)Cc1ccncc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O/c26-23(21-8-7-19-3-1-2-4-20(19)16-21)25-22-9-5-17(6-10-22)15-18-11-13-24-14-12-18/h1-14,16H,15H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.653 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.09099	SlogP: 5.07787	Reactive groups: 0

Topological Properties
Globularity: 0.0348704	Sterimol/B1: 3.75943	Sterimol/B2: 4.09831	Sterimol/B3: 4.10566
Sterimol/B4: 4.18631	Sterimol/L: 19.5881

Surface and Volume Properties
Accessible surface: 611.611	Positive charged surface: 363.662	Negative charged surface: 236.466	Volume: 338.875
Hydrophobic surface: 559.993	Hydrophilic surface: 51.618

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.