MMsINC Database Search


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

MMsINC code: MMs01256383

Type: Neutral
Formula: C₁₄H₇ClF₅NO

SMILES:

Clc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1C(F)(F)F

InChI:

InChI=1/C14H7ClF5NO/c15-12-2-1-10(6-11(12)14(18,19)20)21-13(22)7-3-8(16)5-9(17)4-7/h1-6H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1528 kcal/mol

Physical Properties
Molecular Weight: 335.659 g/mol	logS: -5.73567	SlogP: 5.2008	Reactive groups: 0

Topological Properties
Globularity: 0.0243728	Sterimol/B1: 2.12022	Sterimol/B2: 2.89753	Sterimol/B3: 3.56178
Sterimol/B4: 5.58226	Sterimol/L: 15.2726

Surface and Volume Properties
Accessible surface: 488.979	Positive charged surface: 155.937	Negative charged surface: 333.042	Volume: 247.375
Hydrophobic surface: 359.091	Hydrophilic surface: 129.888

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.