MMsINC Database Search


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MMsINC code: MMs00489746

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O1c2c(ccc3oc(C(=O)C)c(c23)C)C(=CC1=O)C

InChI:

InChI=1/C15H12O4/c1-7-6-12(17)19-15-10(7)4-5-11-13(15)8(2)14(18-11)9(3)16/h4-6H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9905 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -5.17239	SlogP: 3.26612	Reactive groups: 0

Topological Properties
Globularity: 0.0141424	Sterimol/B1: 2.37662	Sterimol/B2: 2.52215	Sterimol/B3: 3.71666
Sterimol/B4: 6.20191	Sterimol/L: 14.0192

Surface and Volume Properties
Accessible surface: 455.404	Positive charged surface: 259.246	Negative charged surface: 190.335	Volume: 236.5
Hydrophobic surface: 362.018	Hydrophilic surface: 93.386

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.