MMsINC Database Search


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MMsINC code: MMs03859451

Type: Neutral
Formula: C₁₉H₂₂F₂N₂O₂

SMILES:

Fc1cc(NC(=O)N(C(Cc2ccc(OC)cc2)C)CC)ccc1F

InChI:

InChI=1/C19H22F2N2O2/c1-4-23(13(2)11-14-5-8-16(25-3)9-6-14)19(24)22-15-7-10-17(20)18(21)12-15/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8824 kcal/mol

Physical Properties
Molecular Weight: 348.393 g/mol	logS: -4.44633	SlogP: 4.45837	Reactive groups: 0

Topological Properties
Globularity: 0.0661015	Sterimol/B1: 2.54611	Sterimol/B2: 2.86734	Sterimol/B3: 4.94929
Sterimol/B4: 7.70259	Sterimol/L: 18.8731

Surface and Volume Properties
Accessible surface: 606.122	Positive charged surface: 367.348	Negative charged surface: 238.775	Volume: 331.5
Hydrophobic surface: 532.485	Hydrophilic surface: 73.637

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.