MMsINC Database Search


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MMsINC code: MMs02300073

Type: Neutral
Formula: C₁₄H₁₁NO₃S₂

SMILES:

s1c2cc(S(=O)(=O)C)ccc2nc1-c1ccc(O)cc1

InChI:

InChI=1/C14H11NO3S2/c1-20(17,18)11-6-7-12-13(8-11)19-14(15-12)9-2-4-10(16)5-3-9/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6512 kcal/mol

Physical Properties
Molecular Weight: 305.378 g/mol	logS: -4.53439	SlogP: 3.0724	Reactive groups: 0

Topological Properties
Globularity: 0.0228111	Sterimol/B1: 2.0497	Sterimol/B2: 3.15686	Sterimol/B3: 4.21505
Sterimol/B4: 4.88501	Sterimol/L: 16.9413

Surface and Volume Properties
Accessible surface: 500.695	Positive charged surface: 242.984	Negative charged surface: 257.711	Volume: 258.25
Hydrophobic surface: 357.26	Hydrophilic surface: 143.435

Pharmacophoric Properties
Hydrogen bond donors: 1	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.