MMsINC Database Search


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MMsINC code: MMs00602892

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C)c1ccc(OC)cc1C(=O)c1ccc(cc1)C(=O)N

InChI:

InChI=1/C16H15NO4/c1-20-12-7-8-14(21-2)13(9-12)15(18)10-3-5-11(6-4-10)16(17)19/h3-9H,1-2H3,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5201 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.81057	SlogP: 2.0337	Reactive groups: 0

Topological Properties
Globularity: 0.154395	Sterimol/B1: 2.41199	Sterimol/B2: 3.3963	Sterimol/B3: 5.35227
Sterimol/B4: 7.69471	Sterimol/L: 15.1881

Surface and Volume Properties
Accessible surface: 520.666	Positive charged surface: 340.839	Negative charged surface: 179.827	Volume: 267.25
Hydrophobic surface: 372.022	Hydrophilic surface: 148.644

Pharmacophoric Properties
Hydrogen bond donors: 1	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.