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MMsINC code: MMs00491257

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₂

SMILES:

Clc1cc(ccc1)\C=N\NC(=O)COc1ccc(F)cc1

InChI:

InChI=1/C15H12ClFN2O2/c16-12-3-1-2-11(8-12)9-18-19-15(20)10-21-14-6-4-13(17)5-7-14/h1-9H,10H2,(H,19,20)/b18-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9953 kcal/mol

Physical Properties
Molecular Weight: 306.724 g/mol	logS: -4.64424	SlogP: 3.0082	Reactive groups: 0

Topological Properties
Globularity: 0.00196903	Sterimol/B1: 2.37376	Sterimol/B2: 2.37634	Sterimol/B3: 3.05454
Sterimol/B4: 5.999	Sterimol/L: 18.9764

Surface and Volume Properties
Accessible surface: 551.62	Positive charged surface: 267.634	Negative charged surface: 283.986	Volume: 270.625
Hydrophobic surface: 461.052	Hydrophilic surface: 90.568

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.