MMsINC Database Search


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

MMsINC code: MMs03251474

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₂

SMILES:

Clc1cc(NC(=O)c2ccccc2NC(=O)C)ccc1F

InChI:

InChI=1/C15H12ClFN2O2/c1-9(20)18-14-5-3-2-4-11(14)15(21)19-10-6-7-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4724 kcal/mol

Physical Properties
Molecular Weight: 306.724 g/mol	logS: -4.59359	SlogP: 3.6898	Reactive groups: 0

Topological Properties
Globularity: 0.0165316	Sterimol/B1: 2.00331	Sterimol/B2: 2.56453	Sterimol/B3: 3.13601
Sterimol/B4: 8.93133	Sterimol/L: 13.679

Surface and Volume Properties
Accessible surface: 517.981	Positive charged surface: 250.259	Negative charged surface: 267.722	Volume: 265.25
Hydrophobic surface: 450.415	Hydrophilic surface: 67.566

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.