MMsINC Database Search


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MMsINC code: MMs02116125

Type: Neutral
Formula: C₁₈H₁₀ClF₄NO

SMILES:

Clc1cc(cnc1Oc1cc(F)c(cc1)-c1ccccc1)C(F)(F)F

InChI:

InChI=1/C18H10ClF4NO/c19-15-8-12(18(21,22)23)10-24-17(15)25-13-6-7-14(16(20)9-13)11-4-2-1-3-5-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0869 kcal/mol

Physical Properties
Molecular Weight: 367.729 g/mol	logS: -6.73291	SlogP: 6.6637	Reactive groups: 0

Topological Properties
Globularity: 0.0402912	Sterimol/B1: 3.24277	Sterimol/B2: 3.41548	Sterimol/B3: 3.7517
Sterimol/B4: 6.1742	Sterimol/L: 17.1202

Surface and Volume Properties
Accessible surface: 559.781	Positive charged surface: 226.512	Negative charged surface: 328.726	Volume: 298
Hydrophobic surface: 450.56	Hydrophilic surface: 109.221

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.