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MMsINC code: MMs02713442

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

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

InChI:

InChI=1/C16H15NO4/c1-21-14-4-2-3-12(10-14)16(20)17-13-7-5-11(6-8-13)9-15(18)19/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6836 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.43612	SlogP: 2.57457	Reactive groups: 0

Topological Properties
Globularity: 0.0203426	Sterimol/B1: 2.5321	Sterimol/B2: 2.86465	Sterimol/B3: 3.40179
Sterimol/B4: 5.33307	Sterimol/L: 18.5001

Surface and Volume Properties
Accessible surface: 532.623	Positive charged surface: 333.042	Negative charged surface: 199.581	Volume: 266
Hydrophobic surface: 392.007	Hydrophilic surface: 140.616

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02713443
PUBCHEM-ZINC00613936