MMsINC Database Search


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MMsINC code: MMs01327229

Type: Neutral
Formula: C₁₄H₁₀N₂O₂S

SMILES:

SC1=Nc2c(cc(O)cc2)C(=O)N1c1ccccc1

InChI:

InChI=1/C14H10N2O2S/c17-10-6-7-12-11(8-10)13(18)16(14(19)15-12)9-4-2-1-3-5-9/h1-8,17H,(H,15,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.838 kcal/mol

Physical Properties
Molecular Weight: 270.312 g/mol	logS: -4.59179	SlogP: 2.9699	Reactive groups: 0

Topological Properties
Globularity: 0.0759557	Sterimol/B1: 3.23863	Sterimol/B2: 3.61348	Sterimol/B3: 3.63315
Sterimol/B4: 5.90668	Sterimol/L: 14.119

Surface and Volume Properties
Accessible surface: 471.011	Positive charged surface: 254.421	Negative charged surface: 216.59	Volume: 242.375
Hydrophobic surface: 329.438	Hydrophilic surface: 141.573

Pharmacophoric Properties
Hydrogen bond donors: 1	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.