MMsINC Database Search


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MMsINC code: MMs01210637

Type: Neutral
Formula: C₂₂H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)Nc2ccc(OC)cc2)c(C)c(C)c1C

InChI:

InChI=1/C22H23FN2O2/c1-14-15(2)21(22(26)24-19-9-11-20(27-4)12-10-19)25(16(14)3)13-17-5-7-18(23)8-6-17/h5-12H,13H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.208 kcal/mol

Physical Properties
Molecular Weight: 366.436 g/mol	logS: -4.59261	SlogP: 5.12806	Reactive groups: 0

Topological Properties
Globularity: 0.0740327	Sterimol/B1: 3.18811	Sterimol/B2: 3.27601	Sterimol/B3: 4.13159
Sterimol/B4: 9.05553	Sterimol/L: 16.5625

Surface and Volume Properties
Accessible surface: 603.34	Positive charged surface: 361.581	Negative charged surface: 241.759	Volume: 358.125
Hydrophobic surface: 557.57	Hydrophilic surface: 45.77

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.