MMsINC Database Search


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MMsINC code: MMs00657097

Type: Neutral
Formula: C₁₆H₁₅Cl₂NOS

SMILES:

Clc1cc(Cl)ccc1NC(=O)C(Sc1ccc(cc1)C)C

InChI:

InChI=1/C16H15Cl2NOS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3964 kcal/mol

Physical Properties
Molecular Weight: 340.274 g/mol	logS: -6.67242	SlogP: 5.42112	Reactive groups: 0

Topological Properties
Globularity: 0.0391395	Sterimol/B1: 3.22509	Sterimol/B2: 3.87657	Sterimol/B3: 4.15247
Sterimol/B4: 4.43806	Sterimol/L: 18.9261

Surface and Volume Properties
Accessible surface: 571.792	Positive charged surface: 251.673	Negative charged surface: 320.119	Volume: 303.625
Hydrophobic surface: 497.261	Hydrophilic surface: 74.531

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.