MMsINC Database Search


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MMsINC code: MMs01210735

Type: Neutral
Formula: C₂₃H₂₂F₂N₂O

SMILES:

Fc1cc(ccc1)Cn1c2c(CCCC2)c(C)c1C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C23H22F2N2O/c1-15-20-7-2-3-8-21(20)27(14-16-5-4-6-18(25)13-16)22(15)23(28)26-19-11-9-17(24)10-12-19/h4-6,9-13H,2-3,7-8,14H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4857 kcal/mol

Physical Properties
Molecular Weight: 380.438 g/mol	logS: -5.45216	SlogP: 5.52046	Reactive groups: 0

Topological Properties
Globularity: 0.10559	Sterimol/B1: 2.19561	Sterimol/B2: 2.33065	Sterimol/B3: 5.42339
Sterimol/B4: 9.84925	Sterimol/L: 16.093

Surface and Volume Properties
Accessible surface: 619.033	Positive charged surface: 360.052	Negative charged surface: 258.98	Volume: 363.25
Hydrophobic surface: 577.918	Hydrophilic surface: 41.115

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.