MMsINC Database Search


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MMsINC code: MMs00341292

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCc1c2cc(OC)ccc2[nH]c1

InChI:

InChI=1/C18H17FN2O2/c1-23-15-6-7-17-16(10-15)13(11-21-17)8-9-20-18(22)12-2-4-14(19)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9319 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -3.99564	SlogP: 3.28807	Reactive groups: 0

Topological Properties
Globularity: 0.051465	Sterimol/B1: 2.55717	Sterimol/B2: 3.65836	Sterimol/B3: 4.04837
Sterimol/B4: 8.37744	Sterimol/L: 17.332

Surface and Volume Properties
Accessible surface: 573.3	Positive charged surface: 350.797	Negative charged surface: 217.403	Volume: 295.625
Hydrophobic surface: 470.775	Hydrophilic surface: 102.525

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.