MMsINC Database Search


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MMsINC code: MMs01635605

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₃

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(ccc1OC)C

InChI:

InChI=1/C19H16ClFN2O3/c1-10-7-8-15(25-3)14(9-10)22-19(24)16-11(2)26-23-18(16)17-12(20)5-4-6-13(17)21/h4-9H,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.207 kcal/mol

Physical Properties
Molecular Weight: 374.799 g/mol	logS: -6.26336	SlogP: 5.01184	Reactive groups: 0

Topological Properties
Globularity: 0.253063	Sterimol/B1: 2.84192	Sterimol/B2: 5.34837	Sterimol/B3: 6.37822
Sterimol/B4: 6.56106	Sterimol/L: 13.3966

Surface and Volume Properties
Accessible surface: 613.991	Positive charged surface: 332.167	Negative charged surface: 281.824	Volume: 330.625
Hydrophobic surface: 566.54	Hydrophilic surface: 47.451

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.