MMsINC Database Search


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MMsINC code: MMs01952060

Type: Neutral
Formula: C₂₄H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(CCN1C(=O)c2c(cccc2)C1=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H20FNO3/c1-29-19-12-8-17(9-13-19)20(16-6-10-18(25)11-7-16)14-15-26-23(27)21-4-2-3-5-22(21)24(26)28/h2-13,20H,14-15H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0407 kcal/mol

Physical Properties
Molecular Weight: 389.426 g/mol	logS: -5.95369	SlogP: 4.6525	Reactive groups: 0

Topological Properties
Globularity: 0.146884	Sterimol/B1: 2.15622	Sterimol/B2: 3.09079	Sterimol/B3: 5.5493
Sterimol/B4: 10.3635	Sterimol/L: 16.7377

Surface and Volume Properties
Accessible surface: 654.384	Positive charged surface: 381.928	Negative charged surface: 272.456	Volume: 368.375
Hydrophobic surface: 571.415	Hydrophilic surface: 82.969

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.