MMsINC Database Search


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MMsINC code: MMs02797818

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O₂

SMILES:

Fc1ccc(cc1)C1(O)CCN(CC1C)C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C19H20F2N2O2/c1-13-12-23(18(24)22-17-8-6-16(21)7-9-17)11-10-19(13,25)14-2-4-15(20)5-3-14/h2-9,13,25H,10-12H2,1H3,(H,22,24)/t13-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7573 kcal/mol

Physical Properties
Molecular Weight: 346.377 g/mol	logS: -4.23167	SlogP: 4.0378	Reactive groups: 0

Topological Properties
Globularity: 0.0895557	Sterimol/B1: 2.42046	Sterimol/B2: 4.34589	Sterimol/B3: 4.72808
Sterimol/B4: 5.52123	Sterimol/L: 17.4998

Surface and Volume Properties
Accessible surface: 560.71	Positive charged surface: 326.377	Negative charged surface: 234.333	Volume: 316.25
Hydrophobic surface: 489.619	Hydrophilic surface: 71.091

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.