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MMsINC code: MMs01341192

Type: Neutral
Formula: C₁₄H₁₅NOS

SMILES:

s1cccc1C(=O)CNC(C)c1ccccc1

InChI:

InChI=1/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-10-13(16)14-8-5-9-17-14/h2-9,11,15H,10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2909 kcal/mol

Physical Properties
Molecular Weight: 245.346 g/mol	logS: -3.35851	SlogP: 3.3771	Reactive groups: 0

Topological Properties
Globularity: 0.0664306	Sterimol/B1: 2.23649	Sterimol/B2: 2.31778	Sterimol/B3: 4.92225
Sterimol/B4: 5.67989	Sterimol/L: 15.6116

Surface and Volume Properties
Accessible surface: 491.125	Positive charged surface: 254.417	Negative charged surface: 236.708	Volume: 243.875
Hydrophobic surface: 423.26	Hydrophilic surface: 67.865

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01341193
ENAMINE-ZINC03268733