MMsINC Database Search


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MMsINC code: MMs01310277

Type: Neutral
Formula: C₂₃H₂₈FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc1

InChI:

InChI=1/C23H28FNO3/c1-22(2,3)16-11-15(12-17(13-16)23(4,5)6)21(27)28-14-20(26)25-19-9-7-18(24)8-10-19/h7-13H,14H2,1-6H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.027 kcal/mol

Physical Properties
Molecular Weight: 385.479 g/mol	logS: -8.09718	SlogP: 5.2162	Reactive groups: 0

Topological Properties
Globularity: 0.0389314	Sterimol/B1: 1.99297	Sterimol/B2: 3.5562	Sterimol/B3: 3.78349
Sterimol/B4: 8.90268	Sterimol/L: 19.0688

Surface and Volume Properties
Accessible surface: 696.632	Positive charged surface: 427.317	Negative charged surface: 269.314	Volume: 385.875
Hydrophobic surface: 509.791	Hydrophilic surface: 186.841

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.