MMsINC Database Search


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MMsINC code: MMs01511694

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(F)ccc1C

InChI:

InChI=1/C18H14ClFN2O2/c1-10-7-8-12(20)9-15(10)21-18(23)16-11(2)24-22-17(16)13-5-3-4-6-14(13)19/h3-9H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4649 kcal/mol

Physical Properties
Molecular Weight: 344.773 g/mol	logS: -5.89953	SlogP: 5.00324	Reactive groups: 0

Topological Properties
Globularity: 0.169859	Sterimol/B1: 2.44181	Sterimol/B2: 5.44396	Sterimol/B3: 5.5482
Sterimol/B4: 5.96957	Sterimol/L: 13.072

Surface and Volume Properties
Accessible surface: 552.659	Positive charged surface: 248.264	Negative charged surface: 304.395	Volume: 305
Hydrophobic surface: 510.083	Hydrophilic surface: 42.576

Pharmacophoric Properties
Hydrogen bond donors: 1	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.