MMsINC Database Search


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MMsINC code: MMs02091175

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cccc2)C(=O)C=C1c1ccc(O)cc1O

InChI:

InChI=1/C15H10O4/c16-9-5-6-11(12(17)7-9)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,16-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1749 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.82459	SlogP: 2.714	Reactive groups: 1

Topological Properties
Globularity: 0.048136	Sterimol/B1: 2.83935	Sterimol/B2: 3.4601	Sterimol/B3: 3.76883
Sterimol/B4: 4.81638	Sterimol/L: 14.8343

Surface and Volume Properties
Accessible surface: 460.46	Positive charged surface: 254.604	Negative charged surface: 205.856	Volume: 227.875
Hydrophobic surface: 325.051	Hydrophilic surface: 135.409

Pharmacophoric Properties
Hydrogen bond donors: 2	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.