MMsINC Database Search


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MMsINC code: MMs02765017

Type: Neutral
Formula: C₁₆H₁₅ClFNO₄

SMILES:

Clc1cc(cc(OC)c1OCC(=O)Nc1ccccc1F)CO

InChI:

InChI=1/C16H15ClFNO4/c1-22-14-7-10(8-20)6-11(17)16(14)23-9-15(21)19-13-5-3-2-4-12(13)18/h2-7,20H,8-9H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.197 kcal/mol

Physical Properties
Molecular Weight: 339.75 g/mol	logS: -4.28236	SlogP: 3.2639	Reactive groups: 0

Topological Properties
Globularity: 0.0388044	Sterimol/B1: 2.40854	Sterimol/B2: 3.01082	Sterimol/B3: 3.8037
Sterimol/B4: 8.01736	Sterimol/L: 18.2676

Surface and Volume Properties
Accessible surface: 584.283	Positive charged surface: 346.409	Negative charged surface: 237.873	Volume: 295.625
Hydrophobic surface: 465.198	Hydrophilic surface: 119.085

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.