MMsINC Database Search


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MMsINC code: MMs01460138

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₄S

SMILES:

Clc1ccc(nc1)NC(=O)COC(=O)c1ccc(SC)cc1OC

InChI:

InChI=1/C16H15ClN2O4S/c1-22-13-7-11(24-2)4-5-12(13)16(21)23-9-15(20)19-14-6-3-10(17)8-18-14/h3-8H,9H2,1-2H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4776 kcal/mol

Physical Properties
Molecular Weight: 366.825 g/mol	logS: -4.62223	SlogP: 3.261	Reactive groups: 0

Topological Properties
Globularity: 0.00562386	Sterimol/B1: 2.37943	Sterimol/B2: 2.51013	Sterimol/B3: 2.56728
Sterimol/B4: 8.87566	Sterimol/L: 18.8276

Surface and Volume Properties
Accessible surface: 614.273	Positive charged surface: 357.04	Negative charged surface: 257.233	Volume: 318.875
Hydrophobic surface: 474.45	Hydrophilic surface: 139.823

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.