MMsINC Database Search


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MMsINC code: MMs01133584

Type: Neutral
Formula: C₁₉H₁₄ClNO₃S

SMILES:

Clc1ccc(cc1)-c1sc(C(OC)=O)c(NC(=O)c2ccccc2)c1

InChI:

InChI=1/C19H14ClNO3S/c1-24-19(23)17-15(21-18(22)13-5-3-2-4-6-13)11-16(25-17)12-7-9-14(20)10-8-12/h2-11H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2983 kcal/mol

Physical Properties
Molecular Weight: 371.844 g/mol	logS: -6.67274	SlogP: 5.1074	Reactive groups: 0

Topological Properties
Globularity: 0.00325232	Sterimol/B1: 2.34842	Sterimol/B2: 2.39849	Sterimol/B3: 2.43536
Sterimol/B4: 11.1104	Sterimol/L: 17.7362

Surface and Volume Properties
Accessible surface: 611.014	Positive charged surface: 296.595	Negative charged surface: 314.419	Volume: 329.375
Hydrophobic surface: 550.148	Hydrophilic surface: 60.866

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.