MMsINC Database Search


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MMsINC code: MMs01488511

Type: Neutral
Formula: C₁₇H₁₆O₅

SMILES:

O(C(=O)c1ccc(cc1)CO)Cc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C17H16O5/c1-21-16(19)14-8-4-13(5-9-14)11-22-17(20)15-6-2-12(10-18)3-7-15/h2-9,18H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3198 kcal/mol

Physical Properties
Molecular Weight: 300.31 g/mol	logS: -3.68726	SlogP: 2.8553	Reactive groups: 0

Topological Properties
Globularity: 0.0413645	Sterimol/B1: 2.38999	Sterimol/B2: 3.01534	Sterimol/B3: 4.41231
Sterimol/B4: 6.51299	Sterimol/L: 18.4952

Surface and Volume Properties
Accessible surface: 577.515	Positive charged surface: 372.88	Negative charged surface: 204.634	Volume: 285.5
Hydrophobic surface: 430.209	Hydrophilic surface: 147.306

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.