MMsINC Database Search


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MMsINC code: MMs00595910

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂

SMILES:

Fc1cc(F)ccc1NC(=O)COc1ccc(cc1)C

InChI:

InChI=1/C15H13F2NO2/c1-10-2-5-12(6-3-10)20-9-15(19)18-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2673 kcal/mol

Physical Properties
Molecular Weight: 277.27 g/mol	logS: -4.49557	SlogP: 3.29072	Reactive groups: 0

Topological Properties
Globularity: 0.0120654	Sterimol/B1: 2.55142	Sterimol/B2: 2.65984	Sterimol/B3: 3.72966
Sterimol/B4: 4.28645	Sterimol/L: 17.6015

Surface and Volume Properties
Accessible surface: 512.101	Positive charged surface: 273.003	Negative charged surface: 239.099	Volume: 250.5
Hydrophobic surface: 457.9	Hydrophilic surface: 54.201

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.