MMsINC Database Search


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MMsINC code: MMs01502046

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)ccc1

InChI:

InChI=1/C20H17ClN2O3S/c1-23(18-8-3-2-4-9-18)27(25,26)19-12-10-15(11-13-19)20(24)22-17-7-5-6-16(21)14-17/h2-14H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.243 kcal/mol

Physical Properties
Molecular Weight: 400.886 g/mol	logS: -5.82658	SlogP: 4.4174	Reactive groups: 0

Topological Properties
Globularity: 0.0544789	Sterimol/B1: 2.23842	Sterimol/B2: 2.60136	Sterimol/B3: 5.3058
Sterimol/B4: 7.56821	Sterimol/L: 18.3818

Surface and Volume Properties
Accessible surface: 626.972	Positive charged surface: 295.992	Negative charged surface: 330.98	Volume: 352.875
Hydrophobic surface: 534.914	Hydrophilic surface: 92.058

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.