MMsINC Database Search


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MMsINC code: MMs01373078

Type: Neutral
Formula: C₁₄H₁₀ClF₂NO₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1

InChI:

InChI=1/C14H10ClF2NO3S/c15-10-2-1-3-11(8-10)18-13(19)9-4-6-12(7-5-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4041 kcal/mol

Physical Properties
Molecular Weight: 345.753 g/mol	logS: -4.31372	SlogP: 4.0085	Reactive groups: 0

Topological Properties
Globularity: 0.0338463	Sterimol/B1: 2.62276	Sterimol/B2: 3.11002	Sterimol/B3: 3.73737
Sterimol/B4: 5.86193	Sterimol/L: 16.6189

Surface and Volume Properties
Accessible surface: 521.426	Positive charged surface: 198.212	Negative charged surface: 323.215	Volume: 268.625
Hydrophobic surface: 349.291	Hydrophilic surface: 172.135

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.