MMsINC Database Search


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MMsINC code: MMs01638105

Type: Neutral
Formula: C₁₃H₁₄F₂N₂OS

SMILES:

S(C(F)F)C1=Nc2c(cccc2)C(=O)N1CCCC

InChI:

InChI=1/C13H14F2N2OS/c1-2-3-8-17-11(18)9-6-4-5-7-10(9)16-13(17)19-12(14)15/h4-7,12H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.4112 kcal/mol

Physical Properties
Molecular Weight: 284.33 g/mol	logS: -4.26137	SlogP: 4.3057	Reactive groups: 0

Topological Properties
Globularity: 0.0681103	Sterimol/B1: 2.1606	Sterimol/B2: 3.90868	Sterimol/B3: 4.24877
Sterimol/B4: 7.00603	Sterimol/L: 14.447

Surface and Volume Properties
Accessible surface: 483.027	Positive charged surface: 274.555	Negative charged surface: 208.472	Volume: 249.75
Hydrophobic surface: 327.519	Hydrophilic surface: 155.508

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.