MMsINC Database Search


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MMsINC code: MMs02091174

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cccc2)C(=O)C=C1c1cccc(O)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2818 kcal/mol

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

Topological Properties
Globularity: 0.0397128	Sterimol/B1: 2.78568	Sterimol/B2: 3.06159	Sterimol/B3: 3.69279
Sterimol/B4: 4.97286	Sterimol/L: 14.2376

Surface and Volume Properties
Accessible surface: 452.035	Positive charged surface: 246.116	Negative charged surface: 205.919	Volume: 227.625
Hydrophobic surface: 324.5	Hydrophilic surface: 127.535

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.