MMsINC Database Search


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MMsINC code: MMs01138721

Type: Neutral
Formula: C₂₄H₂₆FN₃O₃

SMILES:

Fc1cc(ccc1)Cn1cccc1CN(Cc1ccccc1)C(=O)NCC(OCC)=O

InChI:

InChI=1/C24H26FN3O3/c1-2-31-23(29)15-26-24(30)28(16-19-8-4-3-5-9-19)18-22-12-7-13-27(22)17-20-10-6-11-21(25)14-20/h3-14H,2,15-18H2,1H3,(H,26,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3708 kcal/mol

Physical Properties
Molecular Weight: 423.488 g/mol	logS: -4.32255	SlogP: 4.7496	Reactive groups: 1

Topological Properties
Globularity: 0.110009	Sterimol/B1: 3.04708	Sterimol/B2: 4.2123	Sterimol/B3: 5.28845
Sterimol/B4: 9.54095	Sterimol/L: 19.5572

Surface and Volume Properties
Accessible surface: 727.52	Positive charged surface: 429.603	Negative charged surface: 297.917	Volume: 409.375
Hydrophobic surface: 603.072	Hydrophilic surface: 124.448

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.