MMsINC Database Search


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MMsINC code: MMs01323541

Type: Neutral
Formula: C₂₁H₁₆FNO₄

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C21H16FNO4/c22-17-11-5-6-12-18(17)23-20(24)14-26-21(25)16-10-4-7-13-19(16)27-15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.564 kcal/mol

Physical Properties
Molecular Weight: 365.36 g/mol	logS: -5.84073	SlogP: 4.4135	Reactive groups: 0

Topological Properties
Globularity: 0.0239387	Sterimol/B1: 2.7149	Sterimol/B2: 3.48639	Sterimol/B3: 3.59641
Sterimol/B4: 7.28222	Sterimol/L: 20.4427

Surface and Volume Properties
Accessible surface: 637.984	Positive charged surface: 354.992	Negative charged surface: 282.992	Volume: 334.75
Hydrophobic surface: 559.809	Hydrophilic surface: 78.175

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.