MMsINC Database Search


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MMsINC code: MMs02122793

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N(C(C)C)c1ccccc1

InChI:

InChI=1/C20H18ClFN2O2/c1-12(2)24(14-8-5-4-6-9-14)20(25)17-13(3)26-23-19(17)18-15(21)10-7-11-16(18)22/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.721 kcal/mol

Physical Properties
Molecular Weight: 372.827 g/mol	logS: -6.28749	SlogP: 5.49772	Reactive groups: 0

Topological Properties
Globularity: 0.26935	Sterimol/B1: 2.41585	Sterimol/B2: 2.94828	Sterimol/B3: 5.64296
Sterimol/B4: 9.44924	Sterimol/L: 13.0856

Surface and Volume Properties
Accessible surface: 552.569	Positive charged surface: 266.808	Negative charged surface: 285.761	Volume: 339.25
Hydrophobic surface: 486.79	Hydrophilic surface: 65.779

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.