MMsINC Database Search


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MMsINC code: MMs02789302

Type: Neutral
Formula: C₁₉H₁₄N₂O₆

SMILES:

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

InChI:

InChI=1/C19H14N2O6/c1-26-13-8-4-12(5-9-13)18(24)27-14-6-2-11(3-7-14)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)=71.0801 kcal/mol

Physical Properties
Molecular Weight: 366.329 g/mol	logS: -4.97554	SlogP: 1.6638	Reactive groups: 0

Topological Properties
Globularity: 0.0211028	Sterimol/B1: 2.87176	Sterimol/B2: 3.10062	Sterimol/B3: 3.22652
Sterimol/B4: 5.45745	Sterimol/L: 20.1963

Surface and Volume Properties
Accessible surface: 601.602	Positive charged surface: 359.83	Negative charged surface: 241.772	Volume: 318.75
Hydrophobic surface: 378.714	Hydrophilic surface: 222.888

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.