MMsINC Database Search


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MMsINC code: MMs00857673

Type: Neutral
Formula: C₂₄H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(Oc1c2c(c3n(C)c(C)c(c3c1)C(OCC)=O)cccc2)=O

InChI:

InChI=1/C24H20FNO4/c1-4-29-24(28)21-14(2)26(3)22-18-8-6-5-7-17(18)20(13-19(21)22)30-23(27)15-9-11-16(25)12-10-15/h5-13H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.427 kcal/mol

Physical Properties
Molecular Weight: 405.425 g/mol	logS: -6.87804	SlogP: 5.53412	Reactive groups: 0

Topological Properties
Globularity: 0.0604102	Sterimol/B1: 2.50579	Sterimol/B2: 2.74204	Sterimol/B3: 4.74456
Sterimol/B4: 12.0159	Sterimol/L: 16.7792

Surface and Volume Properties
Accessible surface: 682.771	Positive charged surface: 376.545	Negative charged surface: 292.082	Volume: 378.25
Hydrophobic surface: 596.102	Hydrophilic surface: 86.669

Pharmacophoric Properties
Hydrogen bond donors: 0	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.