MMsINC Database Search


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MMsINC code: MMs01380575

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)CN(C(=O)c2cc(cc(c2)C)C)C)cc1

InChI:

InChI=1/C18H19FN2O2/c1-12-8-13(2)10-14(9-12)18(23)21(3)11-17(22)20-16-6-4-15(19)5-7-16/h4-10H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.843 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.66427	SlogP: 3.15324	Reactive groups: 0

Topological Properties
Globularity: 0.0731881	Sterimol/B1: 1.99634	Sterimol/B2: 3.58534	Sterimol/B3: 4.55237
Sterimol/B4: 7.65965	Sterimol/L: 16.3217

Surface and Volume Properties
Accessible surface: 582.749	Positive charged surface: 354.472	Negative charged surface: 228.277	Volume: 304.625
Hydrophobic surface: 508.192	Hydrophilic surface: 74.557

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.