MMsINC Database Search


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MMsINC code: MMs00983916

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)Cn1c(-c2ccccc2)c(C)c(C(OCC)=O)c1C

InChI:

InChI=1/C24H25FN2O3/c1-4-30-24(29)22-16(2)23(19-8-6-5-7-9-19)27(17(22)3)15-21(28)26-14-18-10-12-20(25)13-11-18/h5-13H,4,14-15H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.306 kcal/mol

Physical Properties
Molecular Weight: 408.473 g/mol	logS: -5.53554	SlogP: 4.93694	Reactive groups: 0

Topological Properties
Globularity: 0.06472	Sterimol/B1: 2.2191	Sterimol/B2: 2.30723	Sterimol/B3: 5.8998
Sterimol/B4: 10.5109	Sterimol/L: 18.9503

Surface and Volume Properties
Accessible surface: 709.522	Positive charged surface: 413.236	Negative charged surface: 296.286	Volume: 399.5
Hydrophobic surface: 613.254	Hydrophilic surface: 96.268

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.