MMsINC Database Search


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MMsINC code: MMs02866032

Type: Neutral
Formula: C₂₃H₁₇NO₂S

SMILES:

S(=O)(=O)(Nc1cc2-c3c(-c4c2c(c1)ccc4)cccc3)c1ccc(cc1)C

InChI:

InChI=1/C23H17NO2S/c1-15-9-11-18(12-10-15)27(25,26)24-17-13-16-5-4-8-21-19-6-2-3-7-20(19)22(14-17)23(16)21/h2-14,24H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.515 kcal/mol

Physical Properties
Molecular Weight: 371.46 g/mol	logS: -8.60578	SlogP: 5.59642	Reactive groups: 0

Topological Properties
Globularity: 0.226715	Sterimol/B1: 2.25855	Sterimol/B2: 3.10549	Sterimol/B3: 6.8268
Sterimol/B4: 7.89417	Sterimol/L: 14.262

Surface and Volume Properties
Accessible surface: 607.478	Positive charged surface: 292.608	Negative charged surface: 282.681	Volume: 345.125
Hydrophobic surface: 528.866	Hydrophilic surface: 78.612

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.