MMsINC Database Search


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MMsINC code: MMs01016821

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N1CCc2cc(ccc12)C(=O)Nc1cccc(C)c1C)c1ccc(cc1)C

InChI:

InChI=1/C24H24N2O3S/c1-16-7-10-21(11-8-16)30(28,29)26-14-13-19-15-20(9-12-23(19)26)24(27)25-22-6-4-5-17(2)18(22)3/h4-12,15H,13-14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.087 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -6.38447	SlogP: 4.61553	Reactive groups: 0

Topological Properties
Globularity: 0.0743477	Sterimol/B1: 2.10965	Sterimol/B2: 3.04001	Sterimol/B3: 6.21022
Sterimol/B4: 9.21191	Sterimol/L: 18.9202

Surface and Volume Properties
Accessible surface: 690.332	Positive charged surface: 391.243	Negative charged surface: 299.089	Volume: 397.5
Hydrophobic surface: 606.711	Hydrophilic surface: 83.621

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.