MMsINC Database Search


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MMsINC code: MMs01210786

Type: Neutral
Formula: C₂₄H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(Cc2cc(OC)ccc2)c(C)c(CC)c1C

InChI:

InChI=1/C24H27FN2O2/c1-5-22-16(2)23(24(28)26-14-18-9-11-20(25)12-10-18)27(17(22)3)15-19-7-6-8-21(13-19)29-4/h6-13H,5,14-15H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.334 kcal/mol

Physical Properties
Molecular Weight: 394.49 g/mol	logS: -5.05187	SlogP: 5.32611	Reactive groups: 0

Topological Properties
Globularity: 0.148486	Sterimol/B1: 3.23898	Sterimol/B2: 5.09605	Sterimol/B3: 5.27807
Sterimol/B4: 8.11807	Sterimol/L: 16.4322

Surface and Volume Properties
Accessible surface: 649.158	Positive charged surface: 410.811	Negative charged surface: 238.347	Volume: 392.625
Hydrophobic surface: 563.732	Hydrophilic surface: 85.426

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.