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MMsINC code: MMs03131920

Type: Neutral
Formula: C₁₄H₁₅NOS

SMILES:

s1cccc1C(NC(=O)Cc1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.234 kcal/mol

Physical Properties
Molecular Weight: 245.346 g/mol	logS: -3.49426	SlogP: 3.26347	Reactive groups: 0

Topological Properties
Globularity: 0.07547	Sterimol/B1: 1.969	Sterimol/B2: 3.03942	Sterimol/B3: 4.19466
Sterimol/B4: 5.90057	Sterimol/L: 15.4458

Surface and Volume Properties
Accessible surface: 494.032	Positive charged surface: 271.204	Negative charged surface: 222.828	Volume: 244.625
Hydrophobic surface: 441.947	Hydrophilic surface: 52.085

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.