MMsINC Database Search


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MMsINC code: MMs01696641

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₂

SMILES:

Clc1cc(NC(=O)CNC(=O)Cc2c3c(ccc2)cccc3)ccc1F

InChI:

InChI=1/C20H16ClFN2O2/c21-17-11-15(8-9-18(17)22)24-20(26)12-23-19(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6088 kcal/mol

Physical Properties
Molecular Weight: 370.811 g/mol	logS: -6.49606	SlogP: 3.92967	Reactive groups: 0

Topological Properties
Globularity: 0.0449758	Sterimol/B1: 2.73962	Sterimol/B2: 2.87496	Sterimol/B3: 4.17986
Sterimol/B4: 7.16963	Sterimol/L: 19.4194

Surface and Volume Properties
Accessible surface: 632.288	Positive charged surface: 317.535	Negative charged surface: 305.911	Volume: 332.25
Hydrophobic surface: 541.699	Hydrophilic surface: 90.589

Pharmacophoric Properties
Hydrogen bond donors: 2	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.