MMsINC Database Search


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MMsINC code: MMs00910219

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

O(C(=O)c1ccccc1)CNC(=O)c1ccccc1

InChI:

InChI=1/C15H13NO3/c17-14(12-7-3-1-4-8-12)16-11-19-15(18)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3056 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.41258	SlogP: 2.2309	Reactive groups: 0

Topological Properties
Globularity: 0.110291	Sterimol/B1: 2.74057	Sterimol/B2: 3.43508	Sterimol/B3: 4.49637
Sterimol/B4: 5.78791	Sterimol/L: 15.2181

Surface and Volume Properties
Accessible surface: 507.744	Positive charged surface: 273.68	Negative charged surface: 234.064	Volume: 246.375
Hydrophobic surface: 417.597	Hydrophilic surface: 90.147

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

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Ions/Tautomers related molecules: no related molecules available.