MMsINC Database Search


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MMsINC code: MMs02359506

Type: Neutral
Formula: C₁₉H₁₈N₂O₆

SMILES:

O(C(=O)c1cc(cc(NC(=O)Nc2cc(ccc2)C(=O)C)c1)C(OC)=O)C

InChI:

InChI=1/C19H18N2O6/c1-11(22)12-5-4-6-15(8-12)20-19(25)21-16-9-13(17(23)26-2)7-14(10-16)18(24)27-3/h4-10H,1-3H3,(H2,20,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2816 kcal/mol

Physical Properties
Molecular Weight: 370.361 g/mol	logS: -4.32778	SlogP: 3.1064	Reactive groups: 0

Topological Properties
Globularity: 0.0181972	Sterimol/B1: 2.69911	Sterimol/B2: 3.14342	Sterimol/B3: 4.6221
Sterimol/B4: 7.17823	Sterimol/L: 18.4477

Surface and Volume Properties
Accessible surface: 652.095	Positive charged surface: 432.965	Negative charged surface: 219.13	Volume: 335.5
Hydrophobic surface: 469.012	Hydrophilic surface: 183.083

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.