MMsINC Database Search


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MMsINC code: MMs01470044

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H18FNO4/c24-20-12-6-16(7-13-20)14-25-21(26)15-29-23(28)19-10-8-18(9-11-19)22(27)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.163 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.07487	SlogP: 3.7963	Reactive groups: 0

Topological Properties
Globularity: 0.022403	Sterimol/B1: 2.48835	Sterimol/B2: 3.55635	Sterimol/B3: 3.73353
Sterimol/B4: 8.14944	Sterimol/L: 22.416

Surface and Volume Properties
Accessible surface: 680.578	Positive charged surface: 366.867	Negative charged surface: 313.711	Volume: 362.75
Hydrophobic surface: 550.734	Hydrophilic surface: 129.844

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.