MMsINC Database Search


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MMsINC code: MMs00552125

Type: Neutral
Formula: C₂₀H₁₅NO₃

SMILES:

Oc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1

InChI:

InChI=1/C20H15NO3/c22-16-12-10-15(11-13-16)21-20(24)18-9-5-4-8-17(18)19(23)14-6-2-1-3-7-14/h1-13,22H,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.55 kcal/mol

Physical Properties
Molecular Weight: 317.344 g/mol	logS: -5.06573	SlogP: 3.8755	Reactive groups: 0

Topological Properties
Globularity: 0.146885	Sterimol/B1: 2.66491	Sterimol/B2: 3.0692	Sterimol/B3: 5.56699
Sterimol/B4: 9.76394	Sterimol/L: 14.1472

Surface and Volume Properties
Accessible surface: 563.741	Positive charged surface: 303.281	Negative charged surface: 260.46	Volume: 303.625
Hydrophobic surface: 467.714	Hydrophilic surface: 96.027

Pharmacophoric Properties
Hydrogen bond donors: 2	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.