MMsINC Database Search


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MMsINC code: MMs00998775

Type: Neutral
Formula: C₁₄H₁₁NO₃S

SMILES:

S1(=O)(=O)N(c2ccccc2C)C(=O)c2c1cccc2

InChI:

InChI=1/C14H11NO3S/c1-10-6-2-4-8-12(10)15-14(16)11-7-3-5-9-13(11)19(15,17)18/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6549 kcal/mol

Physical Properties
Molecular Weight: 273.312 g/mol	logS: -3.8108	SlogP: 2.34412	Reactive groups: 0

Topological Properties
Globularity: 0.127513	Sterimol/B1: 2.05495	Sterimol/B2: 3.35158	Sterimol/B3: 4.8003
Sterimol/B4: 6.15833	Sterimol/L: 14.0994

Surface and Volume Properties
Accessible surface: 449.987	Positive charged surface: 210.22	Negative charged surface: 239.767	Volume: 238.625
Hydrophobic surface: 363.373	Hydrophilic surface: 86.614

Pharmacophoric Properties
Hydrogen bond donors: 0	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.