MMsINC Database Search


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MMsINC code: MMs00984312

Type: Neutral
Formula: C₁₉H₁₇FN₂O

SMILES:

Fc1cc(NC(=O)C(n2cccc2)Cc2ccccc2)ccc1

InChI:

InChI=1/C19H17FN2O/c20-16-9-6-10-17(14-16)21-19(23)18(22-11-4-5-12-22)13-15-7-2-1-3-8-15/h1-12,14,18H,13H2,(H,21,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4954 kcal/mol

Physical Properties
Molecular Weight: 308.356 g/mol	logS: -3.84289	SlogP: 4.14517	Reactive groups: 0

Topological Properties
Globularity: 0.0698146	Sterimol/B1: 3.32717	Sterimol/B2: 3.47266	Sterimol/B3: 3.71063
Sterimol/B4: 6.19187	Sterimol/L: 16.4764

Surface and Volume Properties
Accessible surface: 550.639	Positive charged surface: 301.214	Negative charged surface: 249.425	Volume: 299.25
Hydrophobic surface: 508.025	Hydrophilic surface: 42.614

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