MMsINC Database Search


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MMsINC code: MMs01436275

Type: Neutral
Formula: C₂₁H₂₃FN₂O₄

SMILES:

Fc1cc(ccc1)C(=O)NCC(OCC(=O)N(Cc1ccccc1)C(C)C)=O

InChI:

InChI=1/C21H23FN2O4/c1-15(2)24(13-16-7-4-3-5-8-16)19(25)14-28-20(26)12-23-21(27)17-9-6-10-18(22)11-17/h3-11,15H,12-14H2,1-2H3,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3358 kcal/mol

Physical Properties
Molecular Weight: 386.423 g/mol	logS: -4.72306	SlogP: 2.8023	Reactive groups: 1

Topological Properties
Globularity: 0.0414752	Sterimol/B1: 2.43781	Sterimol/B2: 3.68728	Sterimol/B3: 4.97008
Sterimol/B4: 7.38571	Sterimol/L: 19.9654

Surface and Volume Properties
Accessible surface: 667.797	Positive charged surface: 386.754	Negative charged surface: 281.044	Volume: 366
Hydrophobic surface: 513.076	Hydrophilic surface: 154.721

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.