MMsINC Database Search


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

MMsINC code: MMs03428018

Type: Neutral
Formula: C₁₆H₁₅ClFN₃O₃

SMILES:

Clc1ccc(nc1)NC(=O)NCCc1c(O)c(ccc1F)C(=O)C

InChI:

InChI=1/C16H15ClFN3O3/c1-9(22)11-3-4-13(18)12(15(11)23)6-7-19-16(24)21-14-5-2-10(17)8-20-14/h2-5,8,23H,6-7H2,1H3,(H2,19,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0152 kcal/mol

Physical Properties
Molecular Weight: 351.765 g/mol	logS: -3.29027	SlogP: 3.14647	Reactive groups: 0

Topological Properties
Globularity: 0.0599711	Sterimol/B1: 2.45777	Sterimol/B2: 3.61638	Sterimol/B3: 4.45936
Sterimol/B4: 5.64075	Sterimol/L: 19.2198

Surface and Volume Properties
Accessible surface: 588.362	Positive charged surface: 331.661	Negative charged surface: 256.701	Volume: 303.875
Hydrophobic surface: 438.217	Hydrophilic surface: 150.145

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.