MMsINC Database Search


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MMsINC code: MMs01126522

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₂

SMILES:

Clc1cc(NC(=O)N(Cc2occc2)CCc2ccccc2)ccc1F

InChI:

InChI=1/C20H18ClFN2O2/c21-18-13-16(8-9-19(18)22)23-20(25)24(14-17-7-4-12-26-17)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5158 kcal/mol

Physical Properties
Molecular Weight: 372.827 g/mol	logS: -5.70031	SlogP: 5.61527	Reactive groups: 0

Topological Properties
Globularity: 0.0921428	Sterimol/B1: 3.73598	Sterimol/B2: 4.16254	Sterimol/B3: 4.32223
Sterimol/B4: 8.27728	Sterimol/L: 16.4908

Surface and Volume Properties
Accessible surface: 629.282	Positive charged surface: 300.72	Negative charged surface: 328.562	Volume: 343.625
Hydrophobic surface: 593.892	Hydrophilic surface: 35.39

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.