MMsINC Database Search


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MMsINC code: MMs03840223

Type: Neutral
Formula: C₁₄H₂₀FNO₈

SMILES:

FC1C(OC(=O)C)C(NC(=O)C)C(OC1COC(=O)C)OC(=O)C

InChI:

InChI=1/C14H20FNO8/c1-6(17)16-12-13(22-8(3)19)11(15)10(5-21-7(2)18)24-14(12)23-9(4)20/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11+,12-,13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9049 kcal/mol

Physical Properties
Molecular Weight: 349.311 g/mol	logS: -1.51296	SlogP: 0.0319	Reactive groups: 0

Topological Properties
Globularity: 0.149037	Sterimol/B1: 3.91347	Sterimol/B2: 4.42526	Sterimol/B3: 5.29511
Sterimol/B4: 7.43754	Sterimol/L: 15.3824

Surface and Volume Properties
Accessible surface: 603.431	Positive charged surface: 370.398	Negative charged surface: 233.032	Volume: 299.625
Hydrophobic surface: 422.196	Hydrophilic surface: 181.235

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.