MMsINC Database Search


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MMsINC code: MMs02760842

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₅S

SMILES:

Clc1cc(N(S(=O)(=O)C)CC(=O)Nc2ccccc2C(OCC)=O)ccc1F

InChI:

InChI=1/C18H18ClFN2O5S/c1-3-27-18(24)13-6-4-5-7-16(13)21-17(23)11-22(28(2,25)26)12-8-9-15(20)14(19)10-12/h4-10H,3,11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.243 kcal/mol

Physical Properties
Molecular Weight: 428.868 g/mol	logS: -5.03308	SlogP: 3.0605	Reactive groups: 0

Topological Properties
Globularity: 0.111322	Sterimol/B1: 3.54599	Sterimol/B2: 4.69491	Sterimol/B3: 4.73179
Sterimol/B4: 7.96275	Sterimol/L: 16.861

Surface and Volume Properties
Accessible surface: 656.792	Positive charged surface: 328.55	Negative charged surface: 328.243	Volume: 356.375
Hydrophobic surface: 513.155	Hydrophilic surface: 143.637

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.