MMsINC Database Search


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MMsINC code: MMs00583536

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccccc1C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9279 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.78698	SlogP: 2.7341	Reactive groups: 0

Topological Properties
Globularity: 0.0214864	Sterimol/B1: 2.24883	Sterimol/B2: 3.33138	Sterimol/B3: 5.32256
Sterimol/B4: 5.61737	Sterimol/L: 15.6319

Surface and Volume Properties
Accessible surface: 525.565	Positive charged surface: 356.578	Negative charged surface: 168.987	Volume: 268.375
Hydrophobic surface: 456.993	Hydrophilic surface: 68.572

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.