MMsINC Database Search


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MMsINC code: MMs02267525

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(Cc1ccccc1)C(=O)NC\C(=C\C(OC)=O)\c1ccccc1

InChI:

InChI=1/C19H19NO4/c1-23-18(21)12-17(16-10-6-3-7-11-16)13-20-19(22)24-14-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,20,22)/b17-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6469 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.29931	SlogP: 3.4358	Reactive groups: 0

Topological Properties
Globularity: 0.0858124	Sterimol/B1: 2.43908	Sterimol/B2: 2.50064	Sterimol/B3: 5.8352
Sterimol/B4: 8.37749	Sterimol/L: 17.2035

Surface and Volume Properties
Accessible surface: 621.828	Positive charged surface: 402.022	Negative charged surface: 219.805	Volume: 317.5
Hydrophobic surface: 529.768	Hydrophilic surface: 92.06

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.