MMsINC Database Search


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MMsINC code: MMs02123693

Type: Neutral
Formula: C₁₈H₁₉FN₂O

SMILES:

Fc1ccc(cc1)CN1N(CC(C)(C)C1=O)c1ccccc1

InChI:

InChI=1/C18H19FN2O/c1-18(2)13-21(16-6-4-3-5-7-16)20(17(18)22)12-14-8-10-15(19)11-9-14/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5326 kcal/mol

Physical Properties
Molecular Weight: 298.361 g/mol	logS: -3.75103	SlogP: 3.8821	Reactive groups: 0

Topological Properties
Globularity: 0.254684	Sterimol/B1: 2.27006	Sterimol/B2: 5.389	Sterimol/B3: 5.85663
Sterimol/B4: 6.06349	Sterimol/L: 11.3971

Surface and Volume Properties
Accessible surface: 520.07	Positive charged surface: 305.847	Negative charged surface: 214.223	Volume: 295.875
Hydrophobic surface: 450.785	Hydrophilic surface: 69.285

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.