MMsINC Database Search


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MMsINC code: MMs01467723

Type: Neutral
Formula: C₂₃H₂₀FNO₄

SMILES:

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

InChI:

InChI=1/C23H20FNO4/c1-15(16-6-10-20(24)11-7-16)25-22(27)14-29-23(28)19-4-2-17(3-5-19)18-8-12-21(26)13-9-18/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7525 kcal/mol

Physical Properties
Molecular Weight: 393.414 g/mol	logS: -6.3937	SlogP: 4.328	Reactive groups: 0

Topological Properties
Globularity: 0.020046	Sterimol/B1: 2.07962	Sterimol/B2: 3.01367	Sterimol/B3: 5.42804
Sterimol/B4: 6.01241	Sterimol/L: 23.2496

Surface and Volume Properties
Accessible surface: 692.281	Positive charged surface: 361.912	Negative charged surface: 318.662	Volume: 367.5
Hydrophobic surface: 543.843	Hydrophilic surface: 148.438

Pharmacophoric Properties
Hydrogen bond donors: 2	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.