MMsINC Database Search


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MMsINC code: MMs01573423

Type: Neutral
Formula: C₂₅H₂₂FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)\C(=C\c1ccccc1OC)\c1ccccc1

InChI:

InChI=1/C25H22FNO4/c1-30-23-10-6-5-9-20(23)15-22(19-7-3-2-4-8-19)25(29)31-17-24(28)27-16-18-11-13-21(26)14-12-18/h2-15H,16-17H2,1H3,(H,27,28)/b22-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.478 kcal/mol

Physical Properties
Molecular Weight: 419.452 g/mol	logS: -6.33575	SlogP: 4.5009	Reactive groups: 0

Topological Properties
Globularity: 0.0430861	Sterimol/B1: 2.48012	Sterimol/B2: 3.58388	Sterimol/B3: 4.31278
Sterimol/B4: 9.31577	Sterimol/L: 21.1464

Surface and Volume Properties
Accessible surface: 723.062	Positive charged surface: 457.034	Negative charged surface: 266.028	Volume: 400.625
Hydrophobic surface: 633.375	Hydrophilic surface: 89.687

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