MMsINC Database Search


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MMsINC code: MMs02760803

Type: Neutral
Formula: C₂₀H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(CCC)CCC)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C20H26N2O3S/c1-3-14-22(15-4-2)26(24,25)19-12-10-18(11-13-19)21-20(23)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4606 kcal/mol

Physical Properties
Molecular Weight: 374.505 g/mol	logS: -4.38786	SlogP: 3.67847	Reactive groups: 0

Topological Properties
Globularity: 0.0557469	Sterimol/B1: 2.08505	Sterimol/B2: 2.52993	Sterimol/B3: 5.66754
Sterimol/B4: 8.63574	Sterimol/L: 17.7438

Surface and Volume Properties
Accessible surface: 664.851	Positive charged surface: 412.665	Negative charged surface: 252.186	Volume: 368.5
Hydrophobic surface: 530.218	Hydrophilic surface: 134.633

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.