MMsINC Database Search


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MMsINC code: MMs03163379

Type: Neutral
Formula: C₂₃H₁₉NO₃S

SMILES:

S(=O)(=O)(CCC(=O)Nc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H19NO3S/c25-23(24-21-11-9-17-5-1-3-7-19(17)15-21)13-14-28(26,27)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2285 kcal/mol

Physical Properties
Molecular Weight: 389.475 g/mol	logS: -7.15968	SlogP: 4.7955	Reactive groups: 0

Topological Properties
Globularity: 0.0533961	Sterimol/B1: 2.55771	Sterimol/B2: 4.14486	Sterimol/B3: 4.25069
Sterimol/B4: 6.64939	Sterimol/L: 20.6551

Surface and Volume Properties
Accessible surface: 663.239	Positive charged surface: 334.038	Negative charged surface: 307.047	Volume: 361.75
Hydrophobic surface: 564.792	Hydrophilic surface: 98.447

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.