MMsINC Database Search


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MMsINC code: MMs01138152

Type: Neutral
Formula: C₂₂H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCCOC)-c1cc(ccc1)C

InChI:

InChI=1/C22H23FN2O2/c1-15-5-4-6-19(13-15)25-16(2)20(22(26)24-11-12-27-3)14-21(25)17-7-9-18(23)10-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.47 kcal/mol

Physical Properties
Molecular Weight: 366.436 g/mol	logS: -5.31221	SlogP: 4.27644	Reactive groups: 0

Topological Properties
Globularity: 0.0530794	Sterimol/B1: 2.24294	Sterimol/B2: 2.71642	Sterimol/B3: 5.42181
Sterimol/B4: 9.42351	Sterimol/L: 17.2564

Surface and Volume Properties
Accessible surface: 653.406	Positive charged surface: 425.925	Negative charged surface: 227.481	Volume: 363.75
Hydrophobic surface: 603.804	Hydrophilic surface: 49.602

Pharmacophoric Properties
Hydrogen bond donors: 1	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.