MMsINC Database Search


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MMsINC code: MMs02304781

Type: Neutral
Formula: C₂₀H₁₄N₂O₂

SMILES:

OC(C(=O)c1nc2c(cc1)cccc2)c1nc2c(cc1)cccc2

InChI:

InChI=1/C20H14N2O2/c23-19(17-11-9-13-5-1-3-7-15(13)21-17)20(24)18-12-10-14-6-2-4-8-16(14)22-18/h1-12,19,23H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.421 kcal/mol

Physical Properties
Molecular Weight: 314.344 g/mol	logS: -4.73807	SlogP: 3.7948	Reactive groups: 0

Topological Properties
Globularity: 0.10855	Sterimol/B1: 2.62798	Sterimol/B2: 3.01813	Sterimol/B3: 4.49267
Sterimol/B4: 8.43265	Sterimol/L: 13.8937

Surface and Volume Properties
Accessible surface: 529.033	Positive charged surface: 275.977	Negative charged surface: 243.602	Volume: 298.375
Hydrophobic surface: 441.152	Hydrophilic surface: 87.881

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.