MMsINC Database Search


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MMsINC code: MMs02255159

Type: Neutral
Formula: C₁₀H₁₄N₄O₄S

SMILES:

S(=O)(=O)(NC(=O)NC)c1ccc(NC(=O)NC)cc1

InChI:

InChI=1/C10H14N4O4S/c1-11-9(15)13-7-3-5-8(6-4-7)19(17,18)14-10(16)12-2/h3-6H,1-2H3,(H2,11,13,15)(H2,12,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-39.4924 kcal/mol

Physical Properties
Molecular Weight: 286.312 g/mol	logS: -1.69459	SlogP: 0.0556	Reactive groups: 0

Topological Properties
Globularity: 0.0615327	Sterimol/B1: 2.48633	Sterimol/B2: 3.8562	Sterimol/B3: 4.35026
Sterimol/B4: 5.35373	Sterimol/L: 15.9844

Surface and Volume Properties
Accessible surface: 495.049	Positive charged surface: 347.18	Negative charged surface: 147.87	Volume: 239.625
Hydrophobic surface: 292.379	Hydrophilic surface: 202.67

Pharmacophoric Properties
Hydrogen bond donors: 4	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.