MMsINC Database Search


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MMsINC code: MMs01408018

Type: Neutral
Formula: C₁₇H₁₅ClFNO₃

SMILES:

Clc1cccc(F)c1C(OCC(=O)NCc1ccc(cc1)C)=O

InChI:

InChI=1/C17H15ClFNO3/c1-11-5-7-12(8-6-11)9-20-15(21)10-23-17(22)16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0299 kcal/mol

Physical Properties
Molecular Weight: 335.762 g/mol	logS: -5.21027	SlogP: 3.52712	Reactive groups: 0

Topological Properties
Globularity: 0.0310331	Sterimol/B1: 3.13502	Sterimol/B2: 3.89751	Sterimol/B3: 4.23837
Sterimol/B4: 4.74248	Sterimol/L: 19.7436

Surface and Volume Properties
Accessible surface: 603.157	Positive charged surface: 304.088	Negative charged surface: 299.068	Volume: 298.375
Hydrophobic surface: 511.538	Hydrophilic surface: 91.619

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

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Ions/Tautomers related molecules: no related molecules available.