MMsINC Database Search


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MMsINC code: MMs02961434

Type: Neutral
Formula: C₂₄H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(CCC(=O)Nc2cc(C)c(cc2)C)c(C)c(c1)C(=O)C

InChI:

InChI=1/C24H25FN2O2/c1-15-5-10-21(13-16(15)2)26-24(29)11-12-27-17(3)22(18(4)28)14-23(27)19-6-8-20(25)9-7-19/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.562 kcal/mol

Physical Properties
Molecular Weight: 392.474 g/mol	logS: -5.86412	SlogP: 5.71726	Reactive groups: 0

Topological Properties
Globularity: 0.0517295	Sterimol/B1: 2.83425	Sterimol/B2: 4.71001	Sterimol/B3: 4.74501
Sterimol/B4: 7.86612	Sterimol/L: 18.7635

Surface and Volume Properties
Accessible surface: 692.794	Positive charged surface: 391.452	Negative charged surface: 301.341	Volume: 387.75
Hydrophobic surface: 611.937	Hydrophilic surface: 80.857

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.