MMsINC Database Search


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MMsINC code: MMs02522646

Type: Neutral
Formula: C₂₀H₂₀N₂O₄S

SMILES:

S(=O)(=O)(Nc1ccccc1C)c1cc(ccc1C)C(=O)NCc1occc1

InChI:

InChI=1/C20H20N2O4S/c1-14-6-3-4-8-18(14)22-27(24,25)19-12-16(10-9-15(19)2)20(23)21-13-17-7-5-11-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9026 kcal/mol

Physical Properties
Molecular Weight: 384.456 g/mol	logS: -5.03326	SlogP: 3.89364	Reactive groups: 0

Topological Properties
Globularity: 0.118928	Sterimol/B1: 2.537	Sterimol/B2: 5.31714	Sterimol/B3: 5.76655
Sterimol/B4: 6.52441	Sterimol/L: 17.2012

Surface and Volume Properties
Accessible surface: 631.221	Positive charged surface: 324.135	Negative charged surface: 307.086	Volume: 350.875
Hydrophobic surface: 499.353	Hydrophilic surface: 131.868

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: no related molecules available.