MMsINC Database Search


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MMsINC code: MMs02555247

Type: Neutral
Formula: C₁₄H₁₄FNO₂S

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1cc(F)ccc1

InChI:

InChI=1/C14H14FNO2S/c15-13-7-4-8-14(11-13)19(17,18)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.7359 kcal/mol

Physical Properties
Molecular Weight: 279.335 g/mol	logS: -3.34721	SlogP: 2.34667	Reactive groups: 0

Topological Properties
Globularity: 0.115396	Sterimol/B1: 2.99732	Sterimol/B2: 3.65534	Sterimol/B3: 3.70327
Sterimol/B4: 6.19102	Sterimol/L: 13.7105

Surface and Volume Properties
Accessible surface: 497.551	Positive charged surface: 244.379	Negative charged surface: 253.172	Volume: 252.875
Hydrophobic surface: 415.518	Hydrophilic surface: 82.033

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.