MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01868817

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccccc1C(=O)NC(=O)c1ccccc1O

InChI:

InChI=1/C14H11NO4/c16-11-7-3-1-5-9(11)13(18)15-14(19)10-6-2-4-8-12(10)17/h1-8,16-17H,(H,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0836 kcal/mol

Physical Properties
Molecular Weight: 257.245 g/mol	logS: -2.96232	SlogP: 1.668	Reactive groups: 0

Topological Properties
Globularity: 0.0029221	Sterimol/B1: 2.101	Sterimol/B2: 2.26391	Sterimol/B3: 2.56307
Sterimol/B4: 5.90577	Sterimol/L: 14.5607

Surface and Volume Properties
Accessible surface: 464.18	Positive charged surface: 250.617	Negative charged surface: 213.563	Volume: 232.125
Hydrophobic surface: 319.267	Hydrophilic surface: 144.913

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.