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MMsINC code: MMs03019223

Type: Neutral
Formula: C₁₆H₂₅NOS

SMILES:

S1CCN(C1)CCCCOc1ccccc1C(C)C

InChI:

InChI=1/C16H25NOS/c1-14(2)15-7-3-4-8-16(15)18-11-6-5-9-17-10-12-19-13-17/h3-4,7-8,14H,5-6,9-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6663 kcal/mol

Physical Properties
Molecular Weight: 279.448 g/mol	logS: -3.77382	SlogP: 3.9753	Reactive groups: 0

Topological Properties
Globularity: 0.0425727	Sterimol/B1: 2.40715	Sterimol/B2: 2.56936	Sterimol/B3: 4.82987
Sterimol/B4: 7.3566	Sterimol/L: 16.835

Surface and Volume Properties
Accessible surface: 579.183	Positive charged surface: 414.94	Negative charged surface: 164.243	Volume: 297.875
Hydrophobic surface: 476.54	Hydrophilic surface: 102.643

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: no related molecules available.