MMsINC Database Search


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

MMsINC code: MMs01968959

Type: Neutral
Formula: C₁₄H₉ClFNO₂

SMILES:

Clc1cc2N(Cc3cc(F)ccc3)C(Oc2cc1)=O

InChI:

InChI=1/C14H9ClFNO2/c15-10-4-5-13-12(7-10)17(14(18)19-13)8-9-2-1-3-11(16)6-9/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5618 kcal/mol

Physical Properties
Molecular Weight: 277.682 g/mol	logS: -4.85354	SlogP: 4.2645	Reactive groups: 0

Topological Properties
Globularity: 0.123943	Sterimol/B1: 2.40134	Sterimol/B2: 4.43884	Sterimol/B3: 4.686
Sterimol/B4: 5.45103	Sterimol/L: 12.312

Surface and Volume Properties
Accessible surface: 453.406	Positive charged surface: 197.578	Negative charged surface: 255.827	Volume: 236.5
Hydrophobic surface: 381.638	Hydrophilic surface: 71.768

Pharmacophoric Properties
Hydrogen bond donors: 0	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.