MMsINC Database Search


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MMsINC code: MMs02143448

Type: Neutral
Formula: C₁₄H₁₅N₃O₄S

SMILES:

S(=O)(=O)(NC(=O)Nc1ccc(OC)nc1)c1ccc(cc1)C

InChI:

InChI=1/C14H15N3O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14(18)16-11-5-8-13(21-2)15-9-11/h3-9H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.9134 kcal/mol

Physical Properties
Molecular Weight: 321.357 g/mol	logS: -3.05256	SlogP: 1.90902	Reactive groups: 0

Topological Properties
Globularity: 0.0918962	Sterimol/B1: 2.21211	Sterimol/B2: 3.44596	Sterimol/B3: 4.16791
Sterimol/B4: 8.25872	Sterimol/L: 15.5037

Surface and Volume Properties
Accessible surface: 553.961	Positive charged surface: 351.517	Negative charged surface: 202.445	Volume: 278.125
Hydrophobic surface: 411.115	Hydrophilic surface: 142.846

Pharmacophoric Properties
Hydrogen bond donors: 2	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.