MMsINC Database Search


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MMsINC code: MMs00477418

Type: Neutral
Formula: C₁₉H₁₀O₅

SMILES:

O1c2c(C=3OC4=C(CC=3C1=O)C(Oc1c4cccc1)=O)cccc2

InChI:

InChI=1/C19H10O5/c20-18-12-9-13-17(11-6-2-4-8-15(11)23-19(13)21)24-16(12)10-5-1-3-7-14(10)22-18/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2343 kcal/mol

Physical Properties
Molecular Weight: 318.284 g/mol	logS: -6.47357	SlogP: 3.0673	Reactive groups: 0

Topological Properties
Globularity: 0.00973919	Sterimol/B1: 2.41684	Sterimol/B2: 2.56251	Sterimol/B3: 2.72213
Sterimol/B4: 7.77554	Sterimol/L: 14.4139

Surface and Volume Properties
Accessible surface: 503.348	Positive charged surface: 262.915	Negative charged surface: 240.433	Volume: 272.625
Hydrophobic surface: 386.67	Hydrophilic surface: 116.678

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.