MMsINC Database Search


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MMsINC code: MMs01315058

Type: Neutral
Formula: C₂₃H₁₇FN₂O₃

SMILES:

Fc1cc(N(C(=O)c2ccccc2)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C23H17FN2O3/c24-17-9-6-10-18(15-17)25(21(27)16-7-2-1-3-8-16)13-14-26-22(28)19-11-4-5-12-20(19)23(26)29/h1-12,15H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.223 kcal/mol

Physical Properties
Molecular Weight: 388.398 g/mol	logS: -5.88805	SlogP: 3.7687	Reactive groups: 0

Topological Properties
Globularity: 0.03366	Sterimol/B1: 2.38066	Sterimol/B2: 2.39577	Sterimol/B3: 3.53884
Sterimol/B4: 10.9916	Sterimol/L: 16.0059

Surface and Volume Properties
Accessible surface: 595.957	Positive charged surface: 307.919	Negative charged surface: 288.038	Volume: 353.375
Hydrophobic surface: 519.594	Hydrophilic surface: 76.363

Pharmacophoric Properties
Hydrogen bond donors: 0	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.