MMsINC Database Search


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MMsINC code: MMs00656493

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(=O)NC(C)C

InChI:

InChI=1/C18H18ClFN2O2/c1-11(2)21-18(24)12-6-3-4-9-16(12)22-17(23)10-13-14(19)7-5-8-15(13)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7385 kcal/mol

Physical Properties
Molecular Weight: 348.805 g/mol	logS: -5.24616	SlogP: 3.79847	Reactive groups: 0

Topological Properties
Globularity: 0.0594712	Sterimol/B1: 2.42907	Sterimol/B2: 2.82726	Sterimol/B3: 5.21914
Sterimol/B4: 8.51851	Sterimol/L: 16.7281

Surface and Volume Properties
Accessible surface: 599.216	Positive charged surface: 323.796	Negative charged surface: 275.42	Volume: 319
Hydrophobic surface: 506.481	Hydrophilic surface: 92.735

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.