MMsINC Database Search


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MMsINC code: MMs00799247

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C(=O)C)c1cc(ccc1)C(=O)Nc1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1846 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.75877	SlogP: 2.8728	Reactive groups: 0

Topological Properties
Globularity: 0.012029	Sterimol/B1: 2.51243	Sterimol/B2: 2.64663	Sterimol/B3: 3.12058
Sterimol/B4: 6.77789	Sterimol/L: 18.611

Surface and Volume Properties
Accessible surface: 535.398	Positive charged surface: 326.872	Negative charged surface: 208.526	Volume: 270.375
Hydrophobic surface: 446.481	Hydrophilic surface: 88.917

Pharmacophoric Properties
Hydrogen bond donors: 1	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.