MMsINC Database Search


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MMsINC code: MMs01502507

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C23H24N2O3S/c26-23(24-22-11-7-9-18-8-3-4-10-21(18)22)19-12-14-20(15-13-19)29(27,28)25-16-5-1-2-6-17-25/h3-4,7-15H,1-2,5-6,16-17H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.45 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -6.10223	SlogP: 4.6568	Reactive groups: 0

Topological Properties
Globularity: 0.0329708	Sterimol/B1: 2.84507	Sterimol/B2: 3.77263	Sterimol/B3: 3.84876
Sterimol/B4: 6.8762	Sterimol/L: 20.0959

Surface and Volume Properties
Accessible surface: 650.912	Positive charged surface: 374.127	Negative charged surface: 266.428	Volume: 384.375
Hydrophobic surface: 570.815	Hydrophilic surface: 80.097

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.