MMsINC Database Search


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MMsINC code: MMs01894338

Type: Neutral
Formula: C₂₂H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccccc1O

InChI:

InChI=1/C22H15FN2O2/c23-16-12-9-15(10-13-16)11-14-21-24-18-6-2-1-5-17(18)22(27)25(21)19-7-3-4-8-20(19)26/h1-14,26H/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.691 kcal/mol

Physical Properties
Molecular Weight: 358.372 g/mol	logS: -6.11607	SlogP: 4.9351	Reactive groups: 0

Topological Properties
Globularity: 0.0651984	Sterimol/B1: 3.61754	Sterimol/B2: 3.72342	Sterimol/B3: 4.10453
Sterimol/B4: 8.38578	Sterimol/L: 16.5386

Surface and Volume Properties
Accessible surface: 594.584	Positive charged surface: 297.556	Negative charged surface: 297.028	Volume: 333.5
Hydrophobic surface: 520.756	Hydrophilic surface: 73.828

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.