MMsINC Database Search


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MMsINC code: MMs02266791

Type: Neutral
Formula: C₁₅H₁₉ClFNO₃

SMILES:

Clc1cc(F)c(NC(=O)C(C)(C)C)cc1C(OC(C)C)=O

InChI:

InChI=1/C15H19ClFNO3/c1-8(2)21-13(19)9-6-12(11(17)7-10(9)16)18-14(20)15(3,4)5/h6-8H,1-5H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8097 kcal/mol

Physical Properties
Molecular Weight: 315.772 g/mol	logS: -4.26506	SlogP: 4.0289	Reactive groups: 0

Topological Properties
Globularity: 0.0789358	Sterimol/B1: 2.18386	Sterimol/B2: 3.13472	Sterimol/B3: 4.72673
Sterimol/B4: 7.71247	Sterimol/L: 13.9661

Surface and Volume Properties
Accessible surface: 559.261	Positive charged surface: 319.879	Negative charged surface: 239.382	Volume: 289.375
Hydrophobic surface: 419.873	Hydrophilic surface: 139.388

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.