MMsINC Database Search


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MMsINC code: MMs01321818

Type: Neutral
Formula: C₂₂H₁₄ClFN₂O₂

SMILES:

Clc1cc(NC(=O)C(=O)c2n3c(cc2-c2ccccc2)C=CC=C3)ccc1F

InChI:

InChI=1/C22H14ClFN2O2/c23-18-12-15(9-10-19(18)24)25-22(28)21(27)20-17(14-6-2-1-3-7-14)13-16-8-4-5-11-26(16)20/h1-13H,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.444 kcal/mol

Physical Properties
Molecular Weight: 392.817 g/mol	logS: -6.68573	SlogP: 5.2665	Reactive groups: 0

Topological Properties
Globularity: 0.138174	Sterimol/B1: 2.52911	Sterimol/B2: 4.36925	Sterimol/B3: 4.55008
Sterimol/B4: 11.1035	Sterimol/L: 15.0319

Surface and Volume Properties
Accessible surface: 630.896	Positive charged surface: 275.198	Negative charged surface: 355.699	Volume: 348.75
Hydrophobic surface: 572.993	Hydrophilic surface: 57.903

Pharmacophoric Properties
Hydrogen bond donors: 1	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.