MMsINC Database Search


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MMsINC code: MMs02142991

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C)c1cc(ccc1)C(=O)NC(=O)c1ccccc1O

InChI:

InChI=1/C15H13NO4/c1-20-11-6-4-5-10(9-11)14(18)16-15(19)12-7-2-3-8-13(12)17/h2-9,17H,1H3,(H,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6418 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.37465	SlogP: 1.971	Reactive groups: 0

Topological Properties
Globularity: 0.00377722	Sterimol/B1: 2.35319	Sterimol/B2: 2.39495	Sterimol/B3: 3.79175
Sterimol/B4: 4.68172	Sterimol/L: 16.859

Surface and Volume Properties
Accessible surface: 500.293	Positive charged surface: 298.825	Negative charged surface: 201.468	Volume: 252
Hydrophobic surface: 380.834	Hydrophilic surface: 119.459

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.