MMsINC Database Search


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MMsINC code: MMs01436108

Type: Neutral
Formula: C₁₈H₁₇ClFNO₄

SMILES:

Clc1cccc(F)c1COC(=O)CNC(=O)c1ccccc1OCC

InChI:

InChI=1/C18H17ClFNO4/c1-2-24-16-9-4-3-6-12(16)18(23)21-10-17(22)25-11-13-14(19)7-5-8-15(13)20/h3-9H,2,10-11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9584 kcal/mol

Physical Properties
Molecular Weight: 365.788 g/mol	logS: -5.11394	SlogP: 3.6174	Reactive groups: 1

Topological Properties
Globularity: 0.03188	Sterimol/B1: 1.969	Sterimol/B2: 3.89064	Sterimol/B3: 4.71965
Sterimol/B4: 8.75965	Sterimol/L: 18.3779

Surface and Volume Properties
Accessible surface: 631.864	Positive charged surface: 349.285	Negative charged surface: 282.578	Volume: 323.75
Hydrophobic surface: 523.585	Hydrophilic surface: 108.279

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.