MMsINC Database Search


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MMsINC code: MMs01493034

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(OCC(=O)NCc1occc1)=O

InChI:

InChI=1/C23H17FN2O4/c24-16-9-7-15(8-10-16)21-12-19(18-5-1-2-6-20(18)26-21)23(28)30-14-22(27)25-13-17-4-3-11-29-17/h1-12H,13-14H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1355 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -6.73735	SlogP: 4.3735	Reactive groups: 0

Topological Properties
Globularity: 0.0128966	Sterimol/B1: 2.5386	Sterimol/B2: 3.07571	Sterimol/B3: 3.48446
Sterimol/B4: 11.8083	Sterimol/L: 19.1584

Surface and Volume Properties
Accessible surface: 689.555	Positive charged surface: 351.846	Negative charged surface: 326.638	Volume: 366.25
Hydrophobic surface: 570.638	Hydrophilic surface: 118.917

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.