MMsINC Database Search


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MMsINC code: MMs00866846

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O3S/c1-24(2)29(27,28)22-15-13-21(14-16-22)23(26)25(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.008 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -4.87438	SlogP: 4.3123	Reactive groups: 0

Topological Properties
Globularity: 0.0632233	Sterimol/B1: 3.89307	Sterimol/B2: 4.17531	Sterimol/B3: 5.78687
Sterimol/B4: 7.5422	Sterimol/L: 16.0944

Surface and Volume Properties
Accessible surface: 659.427	Positive charged surface: 391.839	Negative charged surface: 267.588	Volume: 389
Hydrophobic surface: 566.482	Hydrophilic surface: 92.945

Pharmacophoric Properties
Hydrogen bond donors: 0	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.