MMsINC Database Search


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MMsINC code: MMs00490875

Type: Neutral
Formula: C₂₀H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H14N2O2/c23-19-17-3-1-2-4-18(17)20(24)22(19)16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9307 kcal/mol

Physical Properties
Molecular Weight: 314.344 g/mol	logS: -4.61683	SlogP: 3.47297	Reactive groups: 0

Topological Properties
Globularity: 0.0589505	Sterimol/B1: 3.30562	Sterimol/B2: 3.39514	Sterimol/B3: 4.16011
Sterimol/B4: 4.68986	Sterimol/L: 16.511

Surface and Volume Properties
Accessible surface: 553.746	Positive charged surface: 326.703	Negative charged surface: 227.043	Volume: 300.25
Hydrophobic surface: 467.46	Hydrophilic surface: 86.286

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.