MMsINC Database Search


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MMsINC code: MMs02097237

Type: Neutral
Formula: C₁₄H₁₄F₂N₂O₂S

SMILES:

S(=O)(=O)(NCc1ccccc1F)NCc1ccccc1F

InChI:

InChI=1/C14H14F2N2O2S/c15-13-7-3-1-5-11(13)9-17-21(19,20)18-10-12-6-2-4-8-14(12)16/h1-8,17-18H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-24.131 kcal/mol

Physical Properties
Molecular Weight: 312.34 g/mol	logS: -3.22205	SlogP: 2.6218	Reactive groups: 0

Topological Properties
Globularity: 0.048073	Sterimol/B1: 2.55686	Sterimol/B2: 3.82034	Sterimol/B3: 4.41569
Sterimol/B4: 4.72773	Sterimol/L: 16.3206

Surface and Volume Properties
Accessible surface: 524.026	Positive charged surface: 259.473	Negative charged surface: 264.552	Volume: 268.125
Hydrophobic surface: 414.009	Hydrophilic surface: 110.017

Pharmacophoric Properties
Hydrogen bond donors: 2	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.