MMsINC Database Search


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MMsINC code: MMs02657839

Type: Neutral
Formula: C₁₂H₁₀N₂O₃S

SMILES:

S(C(=O)c1ccccc1)CC1=CNC(=O)NC1=O

InChI:

InChI=1/C12H10N2O3S/c15-10-9(6-13-12(17)14-10)7-18-11(16)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.38153 kcal/mol

Physical Properties
Molecular Weight: 262.289 g/mol	logS: -3.56973	SlogP: 1.2833	Reactive groups: 0

Topological Properties
Globularity: 0.0520367	Sterimol/B1: 2.99838	Sterimol/B2: 3.31071	Sterimol/B3: 4.09675
Sterimol/B4: 4.61422	Sterimol/L: 15.6975

Surface and Volume Properties
Accessible surface: 464.291	Positive charged surface: 236.327	Negative charged surface: 227.964	Volume: 226.5
Hydrophobic surface: 254.64	Hydrophilic surface: 209.651

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.