MMsINC Database Search


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MMsINC code: MMs02755205

Type: Neutral
Formula: C₁₉H₁₃NO₄

SMILES:

O(C(=O)c1nc(ccc1)C(Oc1ccccc1)=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.059 kcal/mol

Physical Properties
Molecular Weight: 319.316 g/mol	logS: -4.6607	SlogP: 3.52	Reactive groups: 0

Topological Properties
Globularity: 0.0663979	Sterimol/B1: 2.15168	Sterimol/B2: 3.56436	Sterimol/B3: 3.58936
Sterimol/B4: 8.72685	Sterimol/L: 16.93

Surface and Volume Properties
Accessible surface: 594.331	Positive charged surface: 303.762	Negative charged surface: 290.569	Volume: 300
Hydrophobic surface: 503.396	Hydrophilic surface: 90.935

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.