MMsINC Database Search


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MMsINC code: MMs00903051

Type: Neutral
Formula: C₂₁H₁₈ClFN₂O₃S

SMILES:

Clc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(F)cc1

InChI:

InChI=1/C21H18ClFN2O3S/c1-2-25(16-8-4-3-5-9-16)29(27,28)20-14-15(12-13-18(20)23)21(26)24-19-11-7-6-10-17(19)22/h3-14H,2H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.369 kcal/mol

Physical Properties
Molecular Weight: 432.903 g/mol	logS: -6.44877	SlogP: 4.9466	Reactive groups: 0

Topological Properties
Globularity: 0.0631513	Sterimol/B1: 2.08861	Sterimol/B2: 3.2568	Sterimol/B3: 5.14116
Sterimol/B4: 7.9729	Sterimol/L: 19.6714

Surface and Volume Properties
Accessible surface: 657.827	Positive charged surface: 316.52	Negative charged surface: 341.307	Volume: 373.375
Hydrophobic surface: 561.807	Hydrophilic surface: 96.02

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.