MMsINC Database Search


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MMsINC code: MMs00183147

Type: Neutral
Formula: C₁₄H₁₆N₄O₅S

SMILES:

S(=O)(=O)(Nc1nc(OC)nc(OC)c1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.8069 kcal/mol

Physical Properties
Molecular Weight: 352.371 g/mol	logS: -3.48405	SlogP: 1.253	Reactive groups: 0

Topological Properties
Globularity: 0.103061	Sterimol/B1: 3.11901	Sterimol/B2: 3.19591	Sterimol/B3: 5.13248
Sterimol/B4: 7.7272	Sterimol/L: 16.6434

Surface and Volume Properties
Accessible surface: 572.056	Positive charged surface: 379.092	Negative charged surface: 192.964	Volume: 299.625
Hydrophobic surface: 389.117	Hydrophilic surface: 182.939

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.