MMsINC Database Search


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MMsINC code: MMs01978699

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)NCCC1=Cc2cc(C)c(cc2NC1=O)C

InChI:

InChI=1/C20H19FN2O2/c1-12-9-15-11-14(19(24)23-18(15)10-13(12)2)7-8-22-20(25)16-5-3-4-6-17(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5099 kcal/mol

Physical Properties
Molecular Weight: 338.382 g/mol	logS: -5.28999	SlogP: 3.59814	Reactive groups: 0

Topological Properties
Globularity: 0.0417709	Sterimol/B1: 2.39469	Sterimol/B2: 3.69231	Sterimol/B3: 4.27649
Sterimol/B4: 6.83776	Sterimol/L: 19.618

Surface and Volume Properties
Accessible surface: 600.673	Positive charged surface: 346.955	Negative charged surface: 253.718	Volume: 322
Hydrophobic surface: 497.711	Hydrophilic surface: 102.962

Pharmacophoric Properties
Hydrogen bond donors: 2	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.