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MMsINC code: MMs00987455

Type: Neutral
Formula: C₁₉H₂₃NOS

SMILES:

s1cc(c2CCCCc12)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H23NOS/c1-14(11-12-15-7-3-2-4-8-15)20-19(21)17-13-22-18-10-6-5-9-16(17)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)=41.6694 kcal/mol

Physical Properties
Molecular Weight: 313.465 g/mol	logS: -4.63192	SlogP: 4.37791	Reactive groups: 0

Topological Properties
Globularity: 0.0636507	Sterimol/B1: 2.26521	Sterimol/B2: 2.50309	Sterimol/B3: 4.71418
Sterimol/B4: 7.48987	Sterimol/L: 17.7402

Surface and Volume Properties
Accessible surface: 590.99	Positive charged surface: 367.699	Negative charged surface: 223.291	Volume: 320.375
Hydrophobic surface: 548.252	Hydrophilic surface: 42.738

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.