MMsINC Database Search


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MMsINC code: MMs01232701

Type: Neutral
Formula: C₁₅H₁₀F₂N₂OS

SMILES:

S(C(F)F)C1=Nc2c(cccc2)C(=O)N1c1ccccc1

InChI:

InChI=1/C15H10F2N2OS/c16-14(17)21-15-18-12-9-5-4-8-11(12)13(20)19(15)10-6-2-1-3-7-10/h1-9,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5218 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -5.04103	SlogP: 4.7102	Reactive groups: 0

Topological Properties
Globularity: 0.0903873	Sterimol/B1: 3.62084	Sterimol/B2: 3.6249	Sterimol/B3: 3.84116
Sterimol/B4: 6.97632	Sterimol/L: 14.2087

Surface and Volume Properties
Accessible surface: 488.142	Positive charged surface: 242.667	Negative charged surface: 245.475	Volume: 259.75
Hydrophobic surface: 356.203	Hydrophilic surface: 131.939

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.