MMsINC Database Search


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MMsINC code: MMs01323534

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccccc1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1

InChI:

InChI=1/C18H18FNO5/c1-23-15-8-7-12(9-16(15)24-2)10-18(22)25-11-17(21)20-14-6-4-3-5-13(14)19/h3-9H,10-11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.75 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -4.22025	SlogP: 2.56727	Reactive groups: 1

Topological Properties
Globularity: 0.0423097	Sterimol/B1: 2.39966	Sterimol/B2: 2.87273	Sterimol/B3: 4.55554
Sterimol/B4: 7.17176	Sterimol/L: 20.4037

Surface and Volume Properties
Accessible surface: 628.901	Positive charged surface: 432.592	Negative charged surface: 196.31	Volume: 316.875
Hydrophobic surface: 529.637	Hydrophilic surface: 99.264

Pharmacophoric Properties
Hydrogen bond donors: 1	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.