MMsINC Database Search


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MMsINC code: MMs00623398

Type: Neutral
Formula: C₁₈H₁₉Cl₂NO

SMILES:

Clc1cc(ccc1Cl)C(=O)N(Cc1ccccc1)C(C)(C)C

InChI:

InChI=1/C18H19Cl2NO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)14-9-10-15(19)16(20)11-14/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=293.685 kcal/mol

Physical Properties
Molecular Weight: 336.262 g/mol	logS: -5.64313	SlogP: 5.7007	Reactive groups: 0

Topological Properties
Globularity: 0.0923551	Sterimol/B1: 2.49422	Sterimol/B2: 3.34998	Sterimol/B3: 4.01781
Sterimol/B4: 6.84105	Sterimol/L: 15.7234

Surface and Volume Properties
Accessible surface: 519.295	Positive charged surface: 243.755	Negative charged surface: 275.54	Volume: 307.875
Hydrophobic surface: 456.974	Hydrophilic surface: 62.321

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.