MMsINC Database Search


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MMsINC code: MMs00481092

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc(NC(=O)C(N2Cc3c(cccc3)C2=O)Cc2ccccc2)ccc1

InChI:

InChI=1/C23H19FN2O2/c24-18-10-6-11-19(14-18)25-22(27)21(13-16-7-2-1-3-8-16)26-15-17-9-4-5-12-20(17)23(26)28/h1-12,14,21H,13,15H2,(H,25,27)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.663 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.6682	SlogP: 4.29787	Reactive groups: 0

Topological Properties
Globularity: 0.0845019	Sterimol/B1: 2.84138	Sterimol/B2: 3.66157	Sterimol/B3: 3.85576
Sterimol/B4: 9.77602	Sterimol/L: 15.5892

Surface and Volume Properties
Accessible surface: 624.517	Positive charged surface: 334.718	Negative charged surface: 289.799	Volume: 353.375
Hydrophobic surface: 571.731	Hydrophilic surface: 52.786

Pharmacophoric Properties
Hydrogen bond donors: 1	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.