MMsINC Database Search


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MMsINC code: MMs01041953

Type: Neutral
Formula: C₂₀H₁₉FN₂O

SMILES:

Fc1ccc(cc1)-c1[nH]c(C)c(c1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C20H19FN2O/c1-14-18(12-19(22-14)16-8-10-17(21)11-9-16)20(24)23(2)13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1479 kcal/mol

Physical Properties
Molecular Weight: 322.383 g/mol	logS: -4.63969	SlogP: 4.66782	Reactive groups: 0

Topological Properties
Globularity: 0.0727666	Sterimol/B1: 2.09644	Sterimol/B2: 3.60039	Sterimol/B3: 4.17789
Sterimol/B4: 7.55685	Sterimol/L: 16.8824

Surface and Volume Properties
Accessible surface: 569.937	Positive charged surface: 325.234	Negative charged surface: 244.703	Volume: 319.125
Hydrophobic surface: 509.546	Hydrophilic surface: 60.391

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.