MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00585598

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1ccc(NC(=O)Nc2cc(F)c(cc2)C)cc1

InChI:

InChI=1/C14H12ClFN2O/c1-9-2-5-12(8-13(9)16)18-14(19)17-11-6-3-10(15)4-7-11/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.509 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.44179	SlogP: 4.43152	Reactive groups: 0

Topological Properties
Globularity: 0.0302446	Sterimol/B1: 2.72191	Sterimol/B2: 2.90032	Sterimol/B3: 3.04754
Sterimol/B4: 4.94951	Sterimol/L: 16.415

Surface and Volume Properties
Accessible surface: 502.035	Positive charged surface: 251.295	Negative charged surface: 250.74	Volume: 247.125
Hydrophobic surface: 441.993	Hydrophilic surface: 60.042

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.