MMsINC Database Search


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MMsINC code: MMs01978238

Type: Neutral
Formula: C₁₅H₁₄N₂O₅S

SMILES:

S(=O)(=O)(NC(=O)COc1ccccc1C(=O)N)c1ccccc1

InChI:

InChI=1/C15H14N2O5S/c16-15(19)12-8-4-5-9-13(12)22-10-14(18)17-23(20,21)11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4753 kcal/mol

Physical Properties
Molecular Weight: 334.352 g/mol	logS: -3.9069	SlogP: 0.6694	Reactive groups: 0

Topological Properties
Globularity: 0.0776071	Sterimol/B1: 2.55101	Sterimol/B2: 3.4748	Sterimol/B3: 5.89272
Sterimol/B4: 6.0562	Sterimol/L: 15.1142

Surface and Volume Properties
Accessible surface: 551.567	Positive charged surface: 296.653	Negative charged surface: 254.914	Volume: 284.125
Hydrophobic surface: 353.394	Hydrophilic surface: 198.173

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.