MMsINC Database Search


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MMsINC code: MMs02737718

Type: Neutral
Formula: C₂₀H₃₀N₂O₃S

SMILES:

S(=O)(=O)(N(C1CCCCC1)C1CCCCC1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C20H30N2O3S/c1-16(23)21-17-12-14-20(15-13-17)26(24,25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4806 kcal/mol

Physical Properties
Molecular Weight: 378.537 g/mol	logS: -4.45017	SlogP: 4.3011	Reactive groups: 0

Topological Properties
Globularity: 0.109796	Sterimol/B1: 3.15503	Sterimol/B2: 5.37296	Sterimol/B3: 5.63374
Sterimol/B4: 6.4487	Sterimol/L: 15.917

Surface and Volume Properties
Accessible surface: 608.152	Positive charged surface: 412.856	Negative charged surface: 195.296	Volume: 365.875
Hydrophobic surface: 512.666	Hydrophilic surface: 95.486

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.