MMsINC Database Search


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MMsINC code: MMs02138138

Type: Neutral
Formula: C₂₂H₁₇FN₂O

SMILES:

Fc1cc2c3c([nH]c2cc1)CCN(C3)C(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C22H17FN2O/c23-15-8-9-20-18(12-15)19-13-25(11-10-21(19)24-20)22(26)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,24H,10-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8897 kcal/mol

Physical Properties
Molecular Weight: 344.389 g/mol	logS: -5.99247	SlogP: 4.92507	Reactive groups: 0

Topological Properties
Globularity: 0.0245277	Sterimol/B1: 3.27823	Sterimol/B2: 3.32455	Sterimol/B3: 3.34467
Sterimol/B4: 6.45137	Sterimol/L: 17.506

Surface and Volume Properties
Accessible surface: 573.944	Positive charged surface: 316.088	Negative charged surface: 241.113	Volume: 324.25
Hydrophobic surface: 513.873	Hydrophilic surface: 60.071

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: 0

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Ions/Tautomers related molecules: no related molecules available.