MMsINC Database Search


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MMsINC code: MMs03648371

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

Oc1ccccc1C(OC(C(=O)c1ccccc1)C)=O

InChI:

InChI=1/C16H14O4/c1-11(15(18)12-7-3-2-4-8-12)20-16(19)13-9-5-6-10-14(13)17/h2-11,17H,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9052 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.83112	SlogP: 2.8204	Reactive groups: 0

Topological Properties
Globularity: 0.0534524	Sterimol/B1: 2.23903	Sterimol/B2: 3.2659	Sterimol/B3: 4.80792
Sterimol/B4: 5.07527	Sterimol/L: 16.2868

Surface and Volume Properties
Accessible surface: 511.567	Positive charged surface: 275.463	Negative charged surface: 236.104	Volume: 259.125
Hydrophobic surface: 390.827	Hydrophilic surface: 120.74

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.