MMsINC Database Search


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

MMsINC code: MMs01271025

Type: Neutral
Formula: C₁₈H₁₉ClFNO₂

SMILES:

Clc1cc(NC(=O)COc2cc(ccc2C)C(C)C)ccc1F

InChI:

InChI=1/C18H19ClFNO2/c1-11(2)13-5-4-12(3)17(8-13)23-10-18(22)21-14-6-7-16(20)15(19)9-14/h4-9,11H,10H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.909 kcal/mol

Physical Properties
Molecular Weight: 335.806 g/mol	logS: -6.12579	SlogP: 4.92842	Reactive groups: 0

Topological Properties
Globularity: 0.0354359	Sterimol/B1: 2.15281	Sterimol/B2: 3.12284	Sterimol/B3: 4.09821
Sterimol/B4: 8.12622	Sterimol/L: 17.1941

Surface and Volume Properties
Accessible surface: 601.929	Positive charged surface: 334.694	Negative charged surface: 267.235	Volume: 312.125
Hydrophobic surface: 515.384	Hydrophilic surface: 86.545

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.