MMsINC Database Search


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MMsINC code: MMs01469671

Type: Neutral
Formula: C₁₅H₁₄ClN₃O₅S

SMILES:

Clc1ncccc1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1

InChI:

InChI=1/C15H14ClN3O5S/c1-17-25(22,23)11-5-2-4-10(8-11)15(21)24-9-13(20)19-12-6-3-7-18-14(12)16/h2-8,17H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6592 kcal/mol

Physical Properties
Molecular Weight: 383.812 g/mol	logS: -3.38843	SlogP: 1.4386	Reactive groups: 0

Topological Properties
Globularity: 0.0273079	Sterimol/B1: 2.40693	Sterimol/B2: 3.37388	Sterimol/B3: 4.68896
Sterimol/B4: 6.66371	Sterimol/L: 18.625

Surface and Volume Properties
Accessible surface: 608.166	Positive charged surface: 336.949	Negative charged surface: 271.217	Volume: 315.75
Hydrophobic surface: 417.221	Hydrophilic surface: 190.945

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.