MMsINC Database Search


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MMsINC code: MMs02194940

Type: Neutral
Formula: C₂₃H₁₇NO₆

SMILES:

O(C(=O)c1ccc(nc1)C(Oc1ccc(cc1)C(=O)C)=O)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C23H17NO6/c1-14(25)16-3-8-19(9-4-16)29-22(27)18-7-12-21(24-13-18)23(28)30-20-10-5-17(6-11-20)15(2)26/h3-13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.914 kcal/mol

Physical Properties
Molecular Weight: 403.39 g/mol	logS: -5.13232	SlogP: 3.9252	Reactive groups: 0

Topological Properties
Globularity: 0.0250884	Sterimol/B1: 2.49628	Sterimol/B2: 3.13978	Sterimol/B3: 4.58895
Sterimol/B4: 5.02865	Sterimol/L: 24.589

Surface and Volume Properties
Accessible surface: 704.214	Positive charged surface: 383.103	Negative charged surface: 321.111	Volume: 369.125
Hydrophobic surface: 533.637	Hydrophilic surface: 170.577

Pharmacophoric Properties
Hydrogen bond donors: 0	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.