MMsINC Database Search


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MMsINC code: MMs01344478

Type: Neutral
Formula: C₂₂H₁₇F₂NO₅

SMILES:

FC(F)Oc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1

InChI:

InChI=1/C22H17F2NO5/c23-22(24)30-17-12-10-15(11-13-17)25-20(26)14-28-21(27)18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-13,22H,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.103 kcal/mol

Physical Properties
Molecular Weight: 413.376 g/mol	logS: -5.68	SlogP: 5.2957	Reactive groups: 0

Topological Properties
Globularity: 0.0197586	Sterimol/B1: 2.35834	Sterimol/B2: 3.48647	Sterimol/B3: 3.63268
Sterimol/B4: 7.3127	Sterimol/L: 22.6885

Surface and Volume Properties
Accessible surface: 683.123	Positive charged surface: 375.451	Negative charged surface: 307.672	Volume: 361.375
Hydrophobic surface: 518.154	Hydrophilic surface: 164.969

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.