MMsINC Database Search


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MMsINC code: MMs02887355

Type: Neutral
Formula: C₂₀H₁₇FN₂O

SMILES:

Fc1ccccc1C(=O)N(C(C)c1cccnc1)c1ccccc1

InChI:

InChI=1/C20H17FN2O/c1-15(16-8-7-13-22-14-16)23(17-9-3-2-4-10-17)20(24)18-11-5-6-12-19(18)21/h2-15H,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.3 kcal/mol

Physical Properties
Molecular Weight: 320.367 g/mol	logS: -4.38083	SlogP: 4.7242	Reactive groups: 0

Topological Properties
Globularity: 0.274193	Sterimol/B1: 2.30246	Sterimol/B2: 4.4653	Sterimol/B3: 6.62836
Sterimol/B4: 6.76652	Sterimol/L: 14.0312

Surface and Volume Properties
Accessible surface: 528.828	Positive charged surface: 297.136	Negative charged surface: 231.692	Volume: 311
Hydrophobic surface: 471.094	Hydrophilic surface: 57.734

Pharmacophoric Properties
Hydrogen bond donors: 0	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.