MMsINC Database Search


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MMsINC code: MMs02091213

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(ccc(O)c2)C(=O)C=C1c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6076 kcal/mol

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

Topological Properties
Globularity: 0.00340598	Sterimol/B1: 2.13396	Sterimol/B2: 2.3263	Sterimol/B3: 3.86809
Sterimol/B4: 5.17877	Sterimol/L: 14.7444

Surface and Volume Properties
Accessible surface: 458.858	Positive charged surface: 247.247	Negative charged surface: 211.611	Volume: 227.75
Hydrophobic surface: 312.159	Hydrophilic surface: 146.699

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.