MMsINC Database Search


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MMsINC code: MMs01557647

Type: Neutral
Formula: C₂₅H₂₄FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)N(Cc2ccc(OCC)cc2)C)cc1

InChI:

InChI=1/C25H24FNO4/c1-3-30-22-12-4-18(5-13-22)16-27(2)24(28)17-31-23-14-8-20(9-15-23)25(29)19-6-10-21(26)11-7-19/h4-15H,3,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.783 kcal/mol

Physical Properties
Molecular Weight: 421.468 g/mol	logS: -6.01512	SlogP: 4.7592	Reactive groups: 0

Topological Properties
Globularity: 0.0500568	Sterimol/B1: 2.3776	Sterimol/B2: 3.97018	Sterimol/B3: 4.25157
Sterimol/B4: 8.02875	Sterimol/L: 23.1024

Surface and Volume Properties
Accessible surface: 742.539	Positive charged surface: 448.765	Negative charged surface: 293.774	Volume: 404.875
Hydrophobic surface: 634.563	Hydrophilic surface: 107.976

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.