MMsINC Database Search


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MMsINC code: MMs01663419

Type: Neutral
Formula: C₂₁H₁₇Cl₂NO

SMILES:

Clc1ccc(Cl)cc1C(=O)N(C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C21H17Cl2NO/c1-24(21(25)18-14-17(22)12-13-19(18)23)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.933 kcal/mol

Physical Properties
Molecular Weight: 370.279 g/mol	logS: -6.4294	SlogP: 5.9505	Reactive groups: 0

Topological Properties
Globularity: 0.222296	Sterimol/B1: 3.88594	Sterimol/B2: 4.50975	Sterimol/B3: 5.43815
Sterimol/B4: 7.61399	Sterimol/L: 13.6673

Surface and Volume Properties
Accessible surface: 589.54	Positive charged surface: 269.753	Negative charged surface: 319.787	Volume: 340.25
Hydrophobic surface: 574.366	Hydrophilic surface: 15.174

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.