MMsINC Database Search


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MMsINC code: MMs00481073

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc(NC(=O)C(N2Cc3c(cccc3)C2=O)c2ccccc2)ccc1C

InChI:

InChI=1/C23H19FN2O2/c1-15-11-12-18(13-20(15)24)25-22(27)21(16-7-3-2-4-8-16)26-14-17-9-5-6-10-19(17)23(26)28/h2-13,21H,14H2,1H3,(H,25,27)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.891 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.7672	SlogP: 4.83182	Reactive groups: 0

Topological Properties
Globularity: 0.0703542	Sterimol/B1: 3.42415	Sterimol/B2: 3.69572	Sterimol/B3: 4.18203
Sterimol/B4: 8.85796	Sterimol/L: 17.2221

Surface and Volume Properties
Accessible surface: 633.675	Positive charged surface: 350.293	Negative charged surface: 283.382	Volume: 356.625
Hydrophobic surface: 579.545	Hydrophilic surface: 54.13

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.