MMsINC Database Search


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MMsINC code: MMs00888206

Type: Neutral
Formula: C₂₄H₂₅FN₂O

SMILES:

Fc1ccc(cc1)COc1ccccc1CNc1ccc(N2CCCC2)cc1

InChI:

InChI=1/C24H25FN2O/c25-21-9-7-19(8-10-21)18-28-24-6-2-1-5-20(24)17-26-22-11-13-23(14-12-22)27-15-3-4-16-27/h1-2,5-14,26H,3-4,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.298 kcal/mol

Physical Properties
Molecular Weight: 376.475 g/mol	logS: -5.54229	SlogP: 6.1498	Reactive groups: 0

Topological Properties
Globularity: 0.0804705	Sterimol/B1: 2.55651	Sterimol/B2: 3.6737	Sterimol/B3: 3.93444
Sterimol/B4: 11.8286	Sterimol/L: 16.5161

Surface and Volume Properties
Accessible surface: 688.92	Positive charged surface: 432.849	Negative charged surface: 256.071	Volume: 379.375
Hydrophobic surface: 651.874	Hydrophilic surface: 37.046

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.