MMsINC Database Search


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MMsINC code: MMs00615556

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cccc(F)c1C(=O)Nc1ccccc1OC

InChI:

InChI=1/C14H11ClFNO2/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9164 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.43452	SlogP: 3.74	Reactive groups: 0

Topological Properties
Globularity: 0.0665992	Sterimol/B1: 2.48539	Sterimol/B2: 2.70655	Sterimol/B3: 4.79454
Sterimol/B4: 7.39537	Sterimol/L: 13.9905

Surface and Volume Properties
Accessible surface: 477.573	Positive charged surface: 253.519	Negative charged surface: 224.054	Volume: 243.375
Hydrophobic surface: 441.691	Hydrophilic surface: 35.882

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.