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MMsINC code: MMs01289849

Type: Neutral
Formula: C₂₄H₂₈N₂O₂S

SMILES:

S(=O)(=O)(NC(CNC(c1ccccc1)c1ccccc1)(C)C)c1ccc(cc1)C

InChI:

InChI=1/C24H28N2O2S/c1-19-14-16-22(17-15-19)29(27,28)26-24(2,3)18-25-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23,25-26H,18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.806 kcal/mol

Physical Properties
Molecular Weight: 408.566 g/mol	logS: -5.65394	SlogP: 4.52662	Reactive groups: 0

Topological Properties
Globularity: 0.102388	Sterimol/B1: 2.90832	Sterimol/B2: 5.65224	Sterimol/B3: 5.65586
Sterimol/B4: 5.79034	Sterimol/L: 18.3516

Surface and Volume Properties
Accessible surface: 689.779	Positive charged surface: 386.527	Negative charged surface: 303.252	Volume: 406.25
Hydrophobic surface: 602.639	Hydrophilic surface: 87.14

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01289850
ENAMINE-ZINC03077194