MMsINC Database Search


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MMsINC code: MMs00681538

Type: Neutral
Formula: C₁₈H₁₁ClF₄N₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C18H11ClF4N2O2/c1-9-14(16(25-27-9)15-12(19)6-3-7-13(15)20)17(26)24-11-5-2-4-10(8-11)18(21,22)23/h2-8H,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4229 kcal/mol

Physical Properties
Molecular Weight: 398.743 g/mol	logS: -6.79561	SlogP: 6.02512	Reactive groups: 0

Topological Properties
Globularity: 0.142209	Sterimol/B1: 2.403	Sterimol/B2: 3.65566	Sterimol/B3: 4.1509
Sterimol/B4: 9.70305	Sterimol/L: 14.2642

Surface and Volume Properties
Accessible surface: 588.461	Positive charged surface: 216.631	Negative charged surface: 371.83	Volume: 312
Hydrophobic surface: 441.131	Hydrophilic surface: 147.33

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

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Ions/Tautomers related molecules: no related molecules available.