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MMsINC code: MMs03771468

Type: Neutral
Formula: C₁₄H₁₅N₃O₅S₂

SMILES:

S(=O)(=O)(N)c1ccccc1NC(=O)NS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C14H15N3O5S2/c1-10-6-8-11(9-7-10)24(21,22)17-14(18)16-12-4-2-3-5-13(12)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-11.2682 kcal/mol

Physical Properties
Molecular Weight: 369.422 g/mol	logS: -4.17567	SlogP: 1.15282	Reactive groups: 0

Topological Properties
Globularity: 0.176888	Sterimol/B1: 3.20848	Sterimol/B2: 3.22881	Sterimol/B3: 6.33406
Sterimol/B4: 6.88318	Sterimol/L: 13.827

Surface and Volume Properties
Accessible surface: 568.203	Positive charged surface: 284.095	Negative charged surface: 284.107	Volume: 299.625
Hydrophobic surface: 346.801	Hydrophilic surface: 221.402

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03771469
PUBCHEM-ZINC06502213