MMsINC Database Search


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MMsINC code: MMs00265462

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)NCCc1c2c([nH]c1)cc(OC)cc2

InChI:

InChI=1/C18H17FN2O2/c1-23-13-6-7-14-12(11-21-17(14)10-13)8-9-20-18(22)15-4-2-3-5-16(15)19/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)=64.6272 kcal/mol

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

Topological Properties
Globularity: 0.0505674	Sterimol/B1: 2.03353	Sterimol/B2: 3.78751	Sterimol/B3: 4.13521
Sterimol/B4: 7.76092	Sterimol/L: 18.2421

Surface and Volume Properties
Accessible surface: 568.049	Positive charged surface: 355.237	Negative charged surface: 207.964	Volume: 298.125
Hydrophobic surface: 470.152	Hydrophilic surface: 97.897

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.