MMsINC Database Search


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MMsINC code: MMs01049979

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(N(C(=O)C(N2Cc3c(cccc3)C2=O)c2ccccc2)C)cc1

InChI:

InChI=1/C23H19FN2O2/c1-25(19-13-11-18(24)12-14-19)23(28)21(16-7-3-2-4-8-16)26-15-17-9-5-6-10-20(17)22(26)27/h2-14,21H,15H2,1H3/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.636 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.50074	SlogP: 4.5477	Reactive groups: 0

Topological Properties
Globularity: 0.155761	Sterimol/B1: 2.5186	Sterimol/B2: 5.82691	Sterimol/B3: 5.85076
Sterimol/B4: 6.38123	Sterimol/L: 16.0898

Surface and Volume Properties
Accessible surface: 614.012	Positive charged surface: 350.554	Negative charged surface: 263.458	Volume: 354.625
Hydrophobic surface: 580.586	Hydrophilic surface: 33.426

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.