MMsINC Database Search


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MMsINC code: MMs00444784

Type: Neutral
Formula: C₂₀H₂₀N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)N(C)c2cc(ccc2)C)cc1C(=O)NCc1ccccc1

InChI:

InChI=1/C20H20N2O3S2/c1-15-7-6-10-17(11-15)22(2)27(24,25)18-12-19(26-14-18)20(23)21-13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1223 kcal/mol

Physical Properties
Molecular Weight: 400.523 g/mol	logS: -5.31692	SlogP: 4.07802	Reactive groups: 0

Topological Properties
Globularity: 0.0620377	Sterimol/B1: 2.4325	Sterimol/B2: 3.14926	Sterimol/B3: 5.68491
Sterimol/B4: 6.52639	Sterimol/L: 19.6661

Surface and Volume Properties
Accessible surface: 663.236	Positive charged surface: 340.986	Negative charged surface: 322.25	Volume: 363.5
Hydrophobic surface: 556.115	Hydrophilic surface: 107.121

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.