MMsINC Database Search


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MMsINC code: MMs01211041

Type: Neutral
Formula: C₂₀H₂₄F₂N₂O₂

SMILES:

Fc1cccc(F)c1Cn1c2c(CCCC2)c(C)c1C(=O)NCCOC

InChI:

InChI=1/C20H24F2N2O2/c1-13-14-6-3-4-9-18(14)24(19(13)20(25)23-10-11-26-2)12-15-16(21)7-5-8-17(15)22/h5,7-8H,3-4,6,9-12H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7418 kcal/mol

Physical Properties
Molecular Weight: 362.42 g/mol	logS: -3.77094	SlogP: 3.64436	Reactive groups: 0

Topological Properties
Globularity: 0.220091	Sterimol/B1: 2.13761	Sterimol/B2: 2.47096	Sterimol/B3: 6.56567
Sterimol/B4: 9.52335	Sterimol/L: 15.0137

Surface and Volume Properties
Accessible surface: 588.261	Positive charged surface: 429.94	Negative charged surface: 158.321	Volume: 341.625
Hydrophobic surface: 537.826	Hydrophilic surface: 50.435

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.