MMsINC Database Search


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MMsINC code: MMs02000948

Type: Neutral
Formula: C₂₃H₁₉ClFNO₂

SMILES:

Clc1ccccc1COc1c2c(ccc1)C(=O)N(CC2)Cc1ccccc1F

InChI:

InChI=1/C23H19ClFNO2/c24-20-9-3-1-7-17(20)15-28-22-11-5-8-19-18(22)12-13-26(23(19)27)14-16-6-2-4-10-21(16)25/h1-11H,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7949 kcal/mol

Physical Properties
Molecular Weight: 395.861 g/mol	logS: -6.22434	SlogP: 5.78937	Reactive groups: 0

Topological Properties
Globularity: 0.0485452	Sterimol/B1: 2.75921	Sterimol/B2: 2.85996	Sterimol/B3: 4.93778
Sterimol/B4: 8.09719	Sterimol/L: 18.2854

Surface and Volume Properties
Accessible surface: 640.557	Positive charged surface: 345.568	Negative charged surface: 294.988	Volume: 366.125
Hydrophobic surface: 610.067	Hydrophilic surface: 30.49

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.