MMsINC Database Search


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MMsINC code: MMs01813134

Type: Neutral
Formula: C₂₅H₁₈N₂O

SMILES:

O=C1N(C(=Nc2c1cccc2)c1ccc(cc1)C)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.262 kcal/mol

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

Topological Properties
Globularity: 0.101662	Sterimol/B1: 2.51191	Sterimol/B2: 3.35357	Sterimol/B3: 4.66216
Sterimol/B4: 8.96775	Sterimol/L: 15.8347

Surface and Volume Properties
Accessible surface: 609.236	Positive charged surface: 342.02	Negative charged surface: 261.331	Volume: 355.875
Hydrophobic surface: 569.125	Hydrophilic surface: 40.111

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.