MMsINC Database Search


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MMsINC code: MMs01618602

Type: Neutral
Formula: C₂₃H₂₁FN₂O₂

SMILES:

Fc1cc(NC(=O)CN(C(=O)C(c2ccccc2)c2ccccc2)C)ccc1

InChI:

InChI=1/C23H21FN2O2/c1-26(16-21(27)25-20-14-8-13-19(24)15-20)23(28)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.222 kcal/mol

Physical Properties
Molecular Weight: 376.431 g/mol	logS: -5.42036	SlogP: 4.0547	Reactive groups: 0

Topological Properties
Globularity: 0.221994	Sterimol/B1: 2.05598	Sterimol/B2: 4.33957	Sterimol/B3: 7.24992
Sterimol/B4: 8.64795	Sterimol/L: 16.1265

Surface and Volume Properties
Accessible surface: 634.446	Positive charged surface: 366.991	Negative charged surface: 267.455	Volume: 363.75
Hydrophobic surface: 584.697	Hydrophilic surface: 49.749

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.