MMsINC Database Search


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MMsINC code: MMs01205043

Type: Neutral
Formula: C₂₄H₂₅FN₂O

SMILES:

Fc1ccc(cc1)Cn1c2c(CCCC2)c(C)c1C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C24H25FN2O/c1-16-6-5-7-20(14-16)26-24(28)23-17(2)21-8-3-4-9-22(21)27(23)15-18-10-12-19(25)13-11-18/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4981 kcal/mol

Physical Properties
Molecular Weight: 376.475 g/mol	logS: -5.6311	SlogP: 5.68978	Reactive groups: 0

Topological Properties
Globularity: 0.140834	Sterimol/B1: 2.38371	Sterimol/B2: 5.26607	Sterimol/B3: 5.98306
Sterimol/B4: 7.27653	Sterimol/L: 16.2014

Surface and Volume Properties
Accessible surface: 645.811	Positive charged surface: 400.103	Negative charged surface: 245.708	Volume: 376.875
Hydrophobic surface: 606.217	Hydrophilic surface: 39.594

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.