MMsINC Database Search


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MMsINC code: MMs01494008

Type: Neutral
Formula: C₂₂H₁₈FNO₄

SMILES:

Fc1ccc(NC(=O)C(OC(=O)c2ccc(cc2)CO)c2ccccc2)cc1

InChI:

InChI=1/C22H18FNO4/c23-18-10-12-19(13-11-18)24-21(26)20(16-4-2-1-3-5-16)28-22(27)17-8-6-15(14-25)7-9-17/h1-13,20,25H,14H2,(H,24,26)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.027 kcal/mol

Physical Properties
Molecular Weight: 379.387 g/mol	logS: -5.59694	SlogP: 4.2167	Reactive groups: 0

Topological Properties
Globularity: 0.0894376	Sterimol/B1: 2.44711	Sterimol/B2: 3.14509	Sterimol/B3: 5.09149
Sterimol/B4: 9.63531	Sterimol/L: 18.2555

Surface and Volume Properties
Accessible surface: 662.426	Positive charged surface: 356.395	Negative charged surface: 306.032	Volume: 352.5
Hydrophobic surface: 540.926	Hydrophilic surface: 121.5

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.