MMsINC Database Search


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MMsINC code: MMs01569941

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O(C)c1cc(C(OCc2ccccc2)=O)c(O)cc1

InChI:

InChI=1/C15H14O4/c1-18-12-7-8-14(16)13(9-12)15(17)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4806 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.22294	SlogP: 3.0242	Reactive groups: 0

Topological Properties
Globularity: 0.060719	Sterimol/B1: 2.57446	Sterimol/B2: 3.6129	Sterimol/B3: 3.69451
Sterimol/B4: 7.73408	Sterimol/L: 14.092

Surface and Volume Properties
Accessible surface: 508.929	Positive charged surface: 325.491	Negative charged surface: 183.438	Volume: 247.375
Hydrophobic surface: 420.044	Hydrophilic surface: 88.885

Pharmacophoric Properties
Hydrogen bond donors: 1	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.