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MMsINC code: MMs03008983

Type: Neutral
Formula: C₂₃H₁₉FN₂O₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1cc2c3c(n(c2cc1)CC)cccc3)=O

InChI:

InChI=1/C23H19FN2O3/c1-2-26-20-10-6-4-7-16(20)18-13-15(11-12-21(18)26)25-22(27)14-29-23(28)17-8-3-5-9-19(17)24/h3-13H,2,14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9915 kcal/mol

Physical Properties
Molecular Weight: 390.414 g/mol	logS: -6.41582	SlogP: 5.0154	Reactive groups: 0

Topological Properties
Globularity: 0.0170517	Sterimol/B1: 2.69206	Sterimol/B2: 3.37476	Sterimol/B3: 3.93582
Sterimol/B4: 7.35686	Sterimol/L: 20.1234

Surface and Volume Properties
Accessible surface: 667.721	Positive charged surface: 376.065	Negative charged surface: 279.675	Volume: 368.375
Hydrophobic surface: 562.588	Hydrophilic surface: 105.133

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.