MMsINC Database Search


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MMsINC code: MMs02553311

Type: Neutral
Formula: C₁₆H₁₀F₆O₄

SMILES:

FC1(Oc2ccc(O)cc2)C(F)(Oc2ccc(O)cc2)C(F)(F)C1(F)F

InChI:

InChI=1/C16H10F6O4/c17-13(18)14(19,20)16(22,26-12-7-3-10(24)4-8-12)15(13,21)25-11-5-1-9(23)2-6-11/h1-8,23-24H/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7195 kcal/mol

Physical Properties
Molecular Weight: 380.24 g/mol	logS: -4.8709	SlogP: 5.851	Reactive groups: 0

Topological Properties
Globularity: 0.0332346	Sterimol/B1: 2.78834	Sterimol/B2: 4.00395	Sterimol/B3: 4.20059
Sterimol/B4: 4.78527	Sterimol/L: 17.2198

Surface and Volume Properties
Accessible surface: 537.661	Positive charged surface: 229.637	Negative charged surface: 308.024	Volume: 277
Hydrophobic surface: 282.497	Hydrophilic surface: 255.164

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.