MMsINC Database Search


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MMsINC code: MMs02718874

Type: Neutral
Formula: C₂₃H₁₇NO₂S

SMILES:

S(=O)(=O)(Nc1cc2Cc3c(-c2cc1)cccc3)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H17NO2S/c25-27(26,21-11-9-16-5-1-2-6-17(16)15-21)24-20-10-12-23-19(14-20)13-18-7-3-4-8-22(18)23/h1-12,14-15,24H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1597 kcal/mol

Physical Properties
Molecular Weight: 371.46 g/mol	logS: -7.82186	SlogP: 5.21177	Reactive groups: 0

Topological Properties
Globularity: 0.129121	Sterimol/B1: 2.47736	Sterimol/B2: 3.68712	Sterimol/B3: 4.52259
Sterimol/B4: 8.45972	Sterimol/L: 16.2669

Surface and Volume Properties
Accessible surface: 609.322	Positive charged surface: 308.494	Negative charged surface: 279.134	Volume: 345.125
Hydrophobic surface: 531.228	Hydrophilic surface: 78.094

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.