MMsINC Database Search


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MMsINC code: MMs00481185

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₂

SMILES:

Clc1cc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)ccc1

InChI:

InChI=1/C18H18ClFN2O2/c1-11(2)16(18(24)21-13-7-5-6-12(19)10-13)22-17(23)14-8-3-4-9-15(14)20/h3-11,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0526 kcal/mol

Physical Properties
Molecular Weight: 348.805 g/mol	logS: -5.28746	SlogP: 3.8722	Reactive groups: 0

Topological Properties
Globularity: 0.0809874	Sterimol/B1: 2.30887	Sterimol/B2: 3.69797	Sterimol/B3: 3.93522
Sterimol/B4: 8.7905	Sterimol/L: 16.6632

Surface and Volume Properties
Accessible surface: 586.605	Positive charged surface: 297.352	Negative charged surface: 289.253	Volume: 317.125
Hydrophobic surface: 500.491	Hydrophilic surface: 86.114

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.