MMsINC Database Search


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MMsINC code: MMs02633123

Type: Neutral
Formula: C₁₆H₁₀F₄O₃

SMILES:

Fc1c(F)c(F)c2oc(cc2c1F)COc1ccc(OC)cc1

InChI:

InChI=1/C16H10F4O3/c1-21-8-2-4-9(5-3-8)22-7-10-6-11-12(17)13(18)14(19)15(20)16(11)23-10/h2-6H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2917 kcal/mol

Physical Properties
Molecular Weight: 326.245 g/mol	logS: -6.03171	SlogP: 4.8432	Reactive groups: 0

Topological Properties
Globularity: 0.0522355	Sterimol/B1: 2.3678	Sterimol/B2: 3.8385	Sterimol/B3: 4.21024
Sterimol/B4: 4.61224	Sterimol/L: 18.0468

Surface and Volume Properties
Accessible surface: 526.335	Positive charged surface: 273.984	Negative charged surface: 246.868	Volume: 260
Hydrophobic surface: 492.801	Hydrophilic surface: 33.534

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.