MMsINC Database Search


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MMsINC code: MMs03428477

Type: Neutral
Formula: C₁₄H₁₈FNO₅

SMILES:

Fc1cc(OC(=O)C(C)(C)C)c(O)cc1CC(N)C(O)=O

InChI:

InChI=1/C14H18FNO5/c1-14(2,3)13(20)21-11-6-8(15)7(5-10(11)17)4-9(16)12(18)19/h5-6,9,17H,4,16H2,1-3H3,(H,18,19)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1048 kcal/mol

Physical Properties
Molecular Weight: 299.298 g/mol	logS: -1.99897	SlogP: 1.43717	Reactive groups: 0

Topological Properties
Globularity: 0.0538848	Sterimol/B1: 2.17406	Sterimol/B2: 3.52556	Sterimol/B3: 4.564
Sterimol/B4: 4.65581	Sterimol/L: 16.1924

Surface and Volume Properties
Accessible surface: 524.128	Positive charged surface: 318.584	Negative charged surface: 205.544	Volume: 268.125
Hydrophobic surface: 271.91	Hydrophilic surface: 252.218

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.