MMsINC Database Search


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MMsINC code: MMs02150995

Type: Neutral
Formula: C₁₅H₁₀ClF₂N₃O₂S

SMILES:

Clc1ccc(cc1)-c1nn(S(=O)(=O)c2cc(F)c(F)cc2)c(N)c1

InChI:

InChI=1/C15H10ClF2N3O2S/c16-10-3-1-9(2-4-10)14-8-15(19)21(20-14)24(22,23)11-5-6-12(17)13(18)7-11/h1-8H,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.358 kcal/mol

Physical Properties
Molecular Weight: 369.779 g/mol	logS: -5.51345	SlogP: 3.3009	Reactive groups: 0

Topological Properties
Globularity: 0.0901321	Sterimol/B1: 3.65519	Sterimol/B2: 4.03504	Sterimol/B3: 4.20886
Sterimol/B4: 6.33874	Sterimol/L: 15.9636

Surface and Volume Properties
Accessible surface: 546.7	Positive charged surface: 206.556	Negative charged surface: 340.144	Volume: 288.75
Hydrophobic surface: 431.943	Hydrophilic surface: 114.757

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.