MMsINC Database Search


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MMsINC code: MMs01264260

Type: Neutral
Formula: C₂₂H₁₄ClFN₂O₃

SMILES:

Clc1cc(NC(=O)c2cc(ccc2)CN2C(=O)c3c(cccc3)C2=O)ccc1F

InChI:

InChI=1/C22H14ClFN2O3/c23-18-11-15(8-9-19(18)24)25-20(27)14-5-3-4-13(10-14)12-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-11H,12H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2574 kcal/mol

Physical Properties
Molecular Weight: 408.816 g/mol	logS: -6.70189	SlogP: 4.794	Reactive groups: 0

Topological Properties
Globularity: 0.0834254	Sterimol/B1: 2.4949	Sterimol/B2: 3.2738	Sterimol/B3: 5.37373
Sterimol/B4: 8.17693	Sterimol/L: 18.2306

Surface and Volume Properties
Accessible surface: 640.006	Positive charged surface: 299.833	Negative charged surface: 340.173	Volume: 353.75
Hydrophobic surface: 526.488	Hydrophilic surface: 113.518

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.