MMsINC Database Search


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MMsINC code: MMs02637922

Type: Neutral
Formula: C₁₉H₁₃NO₄

SMILES:

O(C(=O)c1ccc(nc1)C(Oc1ccccc1)=O)c1ccccc1

InChI:

InChI=1/C19H13NO4/c21-18(23-15-7-3-1-4-8-15)14-11-12-17(20-13-14)19(22)24-16-9-5-2-6-10-16/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.206 kcal/mol

Physical Properties
Molecular Weight: 319.316 g/mol	logS: -4.50778	SlogP: 3.52	Reactive groups: 0

Topological Properties
Globularity: 0.0418186	Sterimol/B1: 2.74163	Sterimol/B2: 3.58646	Sterimol/B3: 3.74652
Sterimol/B4: 4.70886	Sterimol/L: 20.3426

Surface and Volume Properties
Accessible surface: 588.893	Positive charged surface: 324.383	Negative charged surface: 264.51	Volume: 298.25
Hydrophobic surface: 501.08	Hydrophilic surface: 87.813

Pharmacophoric Properties
Hydrogen bond donors: 0	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.