MMsINC Database Search


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MMsINC code: MMs02785507

Type: Neutral
Formula: C₁₉H₁₄N₂O₅

SMILES:

O(C(=O)c1ccc(cc1)C)c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H14N2O5/c1-11-2-6-13(7-3-11)18(24)26-14-8-4-12(5-9-14)10-15-16(22)20-19(25)21-17(15)23/h2-10H,1H3,(H2,20,21,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4843 kcal/mol

Physical Properties
Molecular Weight: 350.33 g/mol	logS: -5.39908	SlogP: 1.96362	Reactive groups: 0

Topological Properties
Globularity: 0.0219834	Sterimol/B1: 2.7162	Sterimol/B2: 3.35264	Sterimol/B3: 3.488
Sterimol/B4: 4.7244	Sterimol/L: 19.4771

Surface and Volume Properties
Accessible surface: 589.802	Positive charged surface: 326.403	Negative charged surface: 263.399	Volume: 312.125
Hydrophobic surface: 376.591	Hydrophilic surface: 213.211

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.