MMsINC Database Search


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MMsINC code: MMs00473748

Type: Neutral
Formula: C₁₉H₂₃FN₂O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CC2(CC(CC1C2)(C)C)C

InChI:

InChI=1/C19H23FN2O/c1-18(2)8-14-9-19(3,10-18)11-22(14)17(23)16-7-12-6-13(20)4-5-15(12)21-16/h4-7,14,21H,8-11H2,1-3H3/t14-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6796 kcal/mol

Physical Properties
Molecular Weight: 314.404 g/mol	logS: -4.57612	SlogP: 4.3478	Reactive groups: 0

Topological Properties
Globularity: 0.148973	Sterimol/B1: 2.44977	Sterimol/B2: 2.74672	Sterimol/B3: 5.77688
Sterimol/B4: 6.12663	Sterimol/L: 15.3339

Surface and Volume Properties
Accessible surface: 537.511	Positive charged surface: 322.189	Negative charged surface: 210.402	Volume: 306.625
Hydrophobic surface: 446.144	Hydrophilic surface: 91.367

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