MMsINC Database Search


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MMsINC code: MMs02574825

Type: Neutral
Formula: C₁₈H₁₄O₅

SMILES:

O1c2c(cccc2)C(=O)C(OCC(OC)=O)=C1c1ccccc1

InChI:

InChI=1/C18H14O5/c1-21-15(19)11-22-18-16(20)13-9-5-6-10-14(13)23-17(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4395 kcal/mol

Physical Properties
Molecular Weight: 310.305 g/mol	logS: -5.04307	SlogP: 2.8201	Reactive groups: 1

Topological Properties
Globularity: 0.0627475	Sterimol/B1: 2.25543	Sterimol/B2: 2.66583	Sterimol/B3: 4.00136
Sterimol/B4: 8.4062	Sterimol/L: 15.1476

Surface and Volume Properties
Accessible surface: 547.548	Positive charged surface: 339.61	Negative charged surface: 207.938	Volume: 286
Hydrophobic surface: 469.6	Hydrophilic surface: 77.948

Pharmacophoric Properties
Hydrogen bond donors: 0	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.