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MMsINC code: MMs00119369

Type: Neutral
Formula: C₁₆H₁₆ClNOS

SMILES:

Clc1cc(C)c(NC(=O)C(Sc2ccccc2)C)cc1

InChI:

InChI=1/C16H16ClNOS/c1-11-10-13(17)8-9-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.98 kcal/mol

Physical Properties
Molecular Weight: 305.829 g/mol	logS: -5.62468	SlogP: 4.76772	Reactive groups: 0

Topological Properties
Globularity: 0.105349	Sterimol/B1: 2.54817	Sterimol/B2: 4.45933	Sterimol/B3: 4.67593
Sterimol/B4: 6.63397	Sterimol/L: 14.1631

Surface and Volume Properties
Accessible surface: 526.588	Positive charged surface: 255.668	Negative charged surface: 270.92	Volume: 287.875
Hydrophobic surface: 454.796	Hydrophilic surface: 71.792

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.