MMsINC Database Search


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MMsINC code: MMs01414325

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccc(OC)cc1)C

InChI:

InChI=1/C18H18FNO4/c1-12(13-3-7-15(19)8-4-13)20-17(21)11-24-18(22)14-5-9-16(23-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5815 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -4.37965	SlogP: 2.964	Reactive groups: 0

Topological Properties
Globularity: 0.0320789	Sterimol/B1: 2.11786	Sterimol/B2: 2.31383	Sterimol/B3: 5.34359
Sterimol/B4: 5.9208	Sterimol/L: 20.1936

Surface and Volume Properties
Accessible surface: 608.362	Positive charged surface: 365.895	Negative charged surface: 242.467	Volume: 309.375
Hydrophobic surface: 501.435	Hydrophilic surface: 106.927

Pharmacophoric Properties
Hydrogen bond donors: 1	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.