MMsINC Database Search


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MMsINC code: MMs00354281

Type: Neutral
Formula: C₂₀H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C

InChI:

InChI=1/C20H18FNO4/c1-13-2-8-17(9-3-13)22-11-15(10-19(22)24)20(25)26-12-18(23)14-4-6-16(21)7-5-14/h2-9,15H,10-12H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4591 kcal/mol

Physical Properties
Molecular Weight: 355.365 g/mol	logS: -4.54454	SlogP: 2.91312	Reactive groups: 0

Topological Properties
Globularity: 0.0165658	Sterimol/B1: 2.65072	Sterimol/B2: 3.18538	Sterimol/B3: 3.4756
Sterimol/B4: 5.27096	Sterimol/L: 21.3523

Surface and Volume Properties
Accessible surface: 623.555	Positive charged surface: 343.975	Negative charged surface: 279.58	Volume: 326.375
Hydrophobic surface: 518.075	Hydrophilic surface: 105.48

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.