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MMsINC code: MMs01704719

Type: Neutral
Formula: C₁₉H₂₃NOS

SMILES:

s1c2CCCCc2cc1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H23NOS/c1-14(11-12-15-7-3-2-4-8-15)20-19(21)18-13-16-9-5-6-10-17(16)22-18/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4336 kcal/mol

Physical Properties
Molecular Weight: 313.465 g/mol	logS: -4.78484	SlogP: 4.37791	Reactive groups: 0

Topological Properties
Globularity: 0.0473876	Sterimol/B1: 2.12227	Sterimol/B2: 2.48431	Sterimol/B3: 4.71182
Sterimol/B4: 8.28693	Sterimol/L: 17.8369

Surface and Volume Properties
Accessible surface: 599.221	Positive charged surface: 382.122	Negative charged surface: 217.099	Volume: 318.125
Hydrophobic surface: 543.429	Hydrophilic surface: 55.792

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.