MMsINC Database Search


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MMsINC code: MMs02107641

Type: Neutral
Formula: C₁₅H₁₁ClF₃NO₃S

SMILES:

Clc1cc(S(=O)(=O)CC(=O)Nc2cc(ccc2)C(F)(F)F)ccc1

InChI:

InChI=1/C15H11ClF3NO3S/c16-11-4-2-6-13(8-11)24(22,23)9-14(21)20-12-5-1-3-10(7-12)15(17,18)19/h1-8H,9H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4704 kcal/mol

Physical Properties
Molecular Weight: 377.77 g/mol	logS: -5.31284	SlogP: 4.0827	Reactive groups: 0

Topological Properties
Globularity: 0.0437454	Sterimol/B1: 2.69123	Sterimol/B2: 3.11917	Sterimol/B3: 4.19835
Sterimol/B4: 6.05722	Sterimol/L: 16.762

Surface and Volume Properties
Accessible surface: 565.487	Positive charged surface: 203.985	Negative charged surface: 361.503	Volume: 290.25
Hydrophobic surface: 370.198	Hydrophilic surface: 195.289

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.