MMsINC Database Search


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MMsINC code: MMs00163276

Type: Neutral
Formula: C₂₃H₁₇FN₂O₃

SMILES:

Fc1ccc(NC(=O)C(N2C(=O)c3c(cccc3)C2=O)Cc2ccccc2)cc1

InChI:

InChI=1/C23H17FN2O3/c24-16-10-12-17(13-11-16)25-21(27)20(14-15-6-2-1-3-7-15)26-22(28)18-8-4-5-9-19(18)23(26)29/h1-13,20H,14H2,(H,25,27)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3877 kcal/mol

Physical Properties
Molecular Weight: 388.398 g/mol	logS: -6.05551	SlogP: 3.67167	Reactive groups: 0

Topological Properties
Globularity: 0.0767879	Sterimol/B1: 2.89537	Sterimol/B2: 3.51595	Sterimol/B3: 4.20301
Sterimol/B4: 9.7843	Sterimol/L: 15.7282

Surface and Volume Properties
Accessible surface: 628.045	Positive charged surface: 315.803	Negative charged surface: 312.242	Volume: 355.875
Hydrophobic surface: 547.584	Hydrophilic surface: 80.461

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.