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MMsINC code: MMs01037100

Type: Neutral
Formula: C₂₂H₂₄N₂O₂S

SMILES:

S(=O)(=O)(NCC(N(Cc1ccccc1)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H24N2O2S/c1-24(18-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23-27(25,26)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2435 kcal/mol

Physical Properties
Molecular Weight: 380.512 g/mol	logS: -4.65655	SlogP: 4.2001	Reactive groups: 0

Topological Properties
Globularity: 0.189486	Sterimol/B1: 3.11581	Sterimol/B2: 3.39293	Sterimol/B3: 5.79223
Sterimol/B4: 8.17188	Sterimol/L: 15.8656

Surface and Volume Properties
Accessible surface: 643.82	Positive charged surface: 363.241	Negative charged surface: 280.578	Volume: 370.25
Hydrophobic surface: 567.11	Hydrophilic surface: 76.71

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01037101
CHEMDIV-ZINC06809519