MMsINC Database Search


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MMsINC code: MMs00887066

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc2c(NC(=O)CN(C(=O)c3cc(ccc3)C)C2c2ccccc2)cc1

InChI:

InChI=1/C23H19FN2O2/c1-15-6-5-9-17(12-15)23(28)26-14-21(27)25-20-11-10-18(24)13-19(20)22(26)16-7-3-2-4-8-16/h2-13,22H,14H2,1H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.723 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -6.08065	SlogP: 4.41352	Reactive groups: 0

Topological Properties
Globularity: 0.381551	Sterimol/B1: 3.88521	Sterimol/B2: 5.17938	Sterimol/B3: 5.96637
Sterimol/B4: 6.31361	Sterimol/L: 13.1712

Surface and Volume Properties
Accessible surface: 568.82	Positive charged surface: 289.681	Negative charged surface: 279.14	Volume: 348
Hydrophobic surface: 470.323	Hydrophilic surface: 98.497

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.