MMsINC Database Search


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MMsINC code: MMs01828279

Type: Neutral
Formula: C₂₅H₁₈N₂O

SMILES:

O=C1N(C(=Nc2c1cccc2)c1ccc(cc1)C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C25H18N2O/c1-17-13-15-19(16-14-17)24-26-22-11-5-4-10-21(22)25(28)27(24)23-12-6-8-18-7-2-3-9-20(18)23/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.449 kcal/mol

Physical Properties
Molecular Weight: 362.432 g/mol	logS: -8.02902	SlogP: 5.88692	Reactive groups: 0

Topological Properties
Globularity: 0.216857	Sterimol/B1: 2.44571	Sterimol/B2: 4.62873	Sterimol/B3: 5.35629
Sterimol/B4: 8.31048	Sterimol/L: 14.6937

Surface and Volume Properties
Accessible surface: 599.156	Positive charged surface: 337.018	Negative charged surface: 257.825	Volume: 357.875
Hydrophobic surface: 564.053	Hydrophilic surface: 35.103

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.