MMsINC Database Search


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MMsINC code: MMs02939245

Type: Neutral
Formula: C₁₅H₁₉FN₂O₂

SMILES:

Fc1cc(NC(=O)C(=O)NC2CCCCC2C)ccc1

InChI:

InChI=1/C15H19FN2O2/c1-10-5-2-3-8-13(10)18-15(20)14(19)17-12-7-4-6-11(16)9-12/h4,6-7,9-10,13H,2-3,5,8H2,1H3,(H,17,19)(H,18,20)/t10-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8846 kcal/mol

Physical Properties
Molecular Weight: 278.327 g/mol	logS: -3.72743	SlogP: 2.4591	Reactive groups: 0

Topological Properties
Globularity: 0.0343035	Sterimol/B1: 2.327	Sterimol/B2: 2.55816	Sterimol/B3: 3.70862
Sterimol/B4: 6.37182	Sterimol/L: 16.5859

Surface and Volume Properties
Accessible surface: 514.71	Positive charged surface: 326.452	Negative charged surface: 188.258	Volume: 267
Hydrophobic surface: 413.4	Hydrophilic surface: 101.31

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.