MMsINC Database Search


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MMsINC code: MMs02091320

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O1c2c(cc(O)cc2)C(=O)CC1c1ccccc1O

InChI:

InChI=1/C15H12O4/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,15-17H,8H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5716 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -2.81493	SlogP: 2.8998	Reactive groups: 0

Topological Properties
Globularity: 0.0659916	Sterimol/B1: 2.45693	Sterimol/B2: 2.68771	Sterimol/B3: 4.185
Sterimol/B4: 6.15327	Sterimol/L: 14.6831

Surface and Volume Properties
Accessible surface: 462.123	Positive charged surface: 264.236	Negative charged surface: 197.887	Volume: 235.625
Hydrophobic surface: 324.052	Hydrophilic surface: 138.071

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.