MMsINC Database Search


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MMsINC code: MMs02576545

Type: Neutral
Formula: C₁₉H₂₀FNO₄

SMILES:

Fc1ccc(NC(=O)C(OC(=O)COc2cc(C)c(cc2)C)C)cc1

InChI:

InChI=1/C19H20FNO4/c1-12-4-9-17(10-13(12)2)24-11-18(22)25-14(3)19(23)21-16-7-5-15(20)6-8-16/h4-10,14H,11H2,1-3H3,(H,21,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1183 kcal/mol

Physical Properties
Molecular Weight: 345.37 g/mol	logS: -5.40989	SlogP: 3.39174	Reactive groups: 1

Topological Properties
Globularity: 0.023066	Sterimol/B1: 3.09862	Sterimol/B2: 3.20366	Sterimol/B3: 3.97179
Sterimol/B4: 5.90802	Sterimol/L: 20.2878

Surface and Volume Properties
Accessible surface: 640.09	Positive charged surface: 360.922	Negative charged surface: 279.168	Volume: 326
Hydrophobic surface: 534.507	Hydrophilic surface: 105.583

Pharmacophoric Properties
Hydrogen bond donors: 1	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.