MMsINC Database Search


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MMsINC code: MMs00470837

Type: Neutral
Formula: C₂₄H₂₄FNO₂

SMILES:

Fc1ccc(cc1)C(O)(C(N1CCOCC1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24FNO2/c25-22-13-11-21(12-14-22)24(27,20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)26-15-17-28-18-16-26/h1-14,23,27H,15-18H2/t23-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=202.124 kcal/mol

Physical Properties
Molecular Weight: 377.459 g/mol	logS: -5.17605	SlogP: 4.5421	Reactive groups: 0

Topological Properties
Globularity: 0.22978	Sterimol/B1: 3.5197	Sterimol/B2: 3.68498	Sterimol/B3: 4.07296
Sterimol/B4: 7.8346	Sterimol/L: 12.4602

Surface and Volume Properties
Accessible surface: 579.645	Positive charged surface: 370.038	Negative charged surface: 209.607	Volume: 361.875
Hydrophobic surface: 551.17	Hydrophilic surface: 28.475

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.