MMsINC Database Search


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MMsINC code: MMs01600188

Type: Neutral
Formula: C₂₄H₂₂FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)N(Cc2ccccc2OC)C)cc1

InChI:

InChI=1/C24H22FNO4/c1-26(15-19-5-3-4-6-22(19)29-2)23(27)16-30-21-13-9-18(10-14-21)24(28)17-7-11-20(25)12-8-17/h3-14H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.516 kcal/mol

Physical Properties
Molecular Weight: 407.441 g/mol	logS: -5.68791	SlogP: 4.3691	Reactive groups: 0

Topological Properties
Globularity: 0.0445273	Sterimol/B1: 2.10475	Sterimol/B2: 3.16012	Sterimol/B3: 4.62761
Sterimol/B4: 7.8147	Sterimol/L: 20.6083

Surface and Volume Properties
Accessible surface: 687.25	Positive charged surface: 427.216	Negative charged surface: 260.034	Volume: 383.5
Hydrophobic surface: 618.784	Hydrophilic surface: 68.466

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.