MMsINC Database Search


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MMsINC code: MMs01944249

Type: Neutral
Formula: C₁₈H₁₇FN₂O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N(Cc1ccccc1)CC

InChI:

InChI=1/C18H17FN2O/c1-2-21(12-13-6-4-3-5-7-13)18(22)17-11-14-10-15(19)8-9-16(14)20-17/h3-11,20H,2,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8746 kcal/mol

Physical Properties
Molecular Weight: 296.345 g/mol	logS: -4.25793	SlogP: 4.2357	Reactive groups: 0

Topological Properties
Globularity: 0.0873816	Sterimol/B1: 2.27183	Sterimol/B2: 3.06708	Sterimol/B3: 4.44735
Sterimol/B4: 7.23717	Sterimol/L: 15.5231

Surface and Volume Properties
Accessible surface: 528.193	Positive charged surface: 286.041	Negative charged surface: 236.481	Volume: 286.375
Hydrophobic surface: 470.788	Hydrophilic surface: 57.405

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