MMsINC Database Search


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MMsINC code: MMs01578648

Type: Neutral
Formula: C₂₀H₂₁FN₂O₅

SMILES:

Fc1ccc(NC(=O)CN(C(=O)COc2ccc(cc2)C(OCC)=O)C)cc1

InChI:

InChI=1/C20H21FN2O5/c1-3-27-20(26)14-4-10-17(11-5-14)28-13-19(25)23(2)12-18(24)22-16-8-6-15(21)7-9-16/h4-11H,3,12-13H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.33 kcal/mol

Physical Properties
Molecular Weight: 388.395 g/mol	logS: -4.50219	SlogP: 2.4783	Reactive groups: 0

Topological Properties
Globularity: 0.060999	Sterimol/B1: 2.29293	Sterimol/B2: 4.73866	Sterimol/B3: 5.14603
Sterimol/B4: 6.62717	Sterimol/L: 21.8778

Surface and Volume Properties
Accessible surface: 691.168	Positive charged surface: 429.353	Negative charged surface: 261.815	Volume: 358.25
Hydrophobic surface: 549.375	Hydrophilic surface: 141.793

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.