MMsINC Database Search


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MMsINC code: MMs01978700

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)NCCC1=Cc2cc(C)c(cc2NC1=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.316 kcal/mol

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

Topological Properties
Globularity: 0.0414983	Sterimol/B1: 2.39286	Sterimol/B2: 3.93238	Sterimol/B3: 4.02873
Sterimol/B4: 6.83403	Sterimol/L: 19.6207

Surface and Volume Properties
Accessible surface: 602.873	Positive charged surface: 340.695	Negative charged surface: 262.178	Volume: 322.375
Hydrophobic surface: 497.449	Hydrophilic surface: 105.424

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.