MMsINC Database Search


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MMsINC code: MMs02872093

Type: Neutral
Formula: C₂₁H₁₈Cl₂FNO

SMILES:

Clc1cc(cc(Cl)c1OCc1ccc(F)cc1)CNc1ccccc1C

InChI:

InChI=1/C21H18Cl2FNO/c1-14-4-2-3-5-20(14)25-12-16-10-18(22)21(19(23)11-16)26-13-15-6-8-17(24)9-7-15/h2-11,25H,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5512 kcal/mol

Physical Properties
Molecular Weight: 390.285 g/mol	logS: -6.69155	SlogP: 7.16482	Reactive groups: 0

Topological Properties
Globularity: 0.0504401	Sterimol/B1: 2.19863	Sterimol/B2: 4.7473	Sterimol/B3: 4.75272
Sterimol/B4: 6.29979	Sterimol/L: 20.646

Surface and Volume Properties
Accessible surface: 644.755	Positive charged surface: 304.404	Negative charged surface: 340.351	Volume: 355.875
Hydrophobic surface: 623.958	Hydrophilic surface: 20.797

Pharmacophoric Properties
Hydrogen bond donors: 1	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.