MMsINC Database Search


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MMsINC code: MMs01210221

Type: Neutral
Formula: C₂₄H₂₇FN₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)Nc2ccc(cc2)C(C)C)c(C)c(C)c1C

InChI:

InChI=1/C24H27FN2O/c1-15(2)19-10-12-21(13-11-19)26-24(28)23-17(4)16(3)18(5)27(23)14-20-8-6-7-9-22(20)25/h6-13,15H,14H2,1-5H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.244 kcal/mol

Physical Properties
Molecular Weight: 378.491 g/mol	logS: -6.04659	SlogP: 6.24286	Reactive groups: 0

Topological Properties
Globularity: 0.0688703	Sterimol/B1: 3.16437	Sterimol/B2: 3.18072	Sterimol/B3: 4.11767
Sterimol/B4: 8.84916	Sterimol/L: 16.6687

Surface and Volume Properties
Accessible surface: 633.131	Positive charged surface: 381.33	Negative charged surface: 251.802	Volume: 381.625
Hydrophobic surface: 555.515	Hydrophilic surface: 77.616

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.