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MMsINC code: MMs03937678

Type: Neutral
Formula: C₁₉H₂₃NOS

SMILES:

S(C)c1ccccc1OC1CCN(CC1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8177 kcal/mol

Physical Properties
Molecular Weight: 313.465 g/mol	logS: -4.67483	SlogP: 4.7183	Reactive groups: 0

Topological Properties
Globularity: 0.0963104	Sterimol/B1: 2.2757	Sterimol/B2: 2.88542	Sterimol/B3: 5.67464
Sterimol/B4: 5.96912	Sterimol/L: 16.5447

Surface and Volume Properties
Accessible surface: 585.969	Positive charged surface: 369.575	Negative charged surface: 216.394	Volume: 320.75
Hydrophobic surface: 537.885	Hydrophilic surface: 48.084

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs03937679
SPECS-ZINC04146631