MMsINC Database Search


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MMsINC code: MMs01137344

Type: Neutral
Formula: C₂₄H₂₇FN₂O

SMILES:

Fc1ccc(-n2c(cc(C(=O)NCCCCCC)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C24H27FN2O/c1-3-4-5-9-16-26-24(28)22-17-23(19-10-7-6-8-11-19)27(18(22)2)21-14-12-20(25)13-15-21/h6-8,10-15,17H,3-5,9,16H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.919 kcal/mol

Physical Properties
Molecular Weight: 378.491 g/mol	logS: -6.77029	SlogP: 5.90192	Reactive groups: 0

Topological Properties
Globularity: 0.0232227	Sterimol/B1: 3.24694	Sterimol/B2: 3.63333	Sterimol/B3: 5.61976
Sterimol/B4: 6.06185	Sterimol/L: 21.243

Surface and Volume Properties
Accessible surface: 697.576	Positive charged surface: 441.842	Negative charged surface: 255.734	Volume: 388.875
Hydrophobic surface: 629.569	Hydrophilic surface: 68.007

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.