MMsINC Database Search


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MMsINC code: MMs01049725

Type: Neutral
Formula: C₂₄H₂₆FN₃O

SMILES:

Fc1cc(ccc1)-c1nc(c2n1CCCCC2)C(=O)N(C)c1ccccc1CC

InChI:

InChI=1/C24H26FN3O/c1-3-17-10-6-7-13-20(17)27(2)24(29)22-21-14-5-4-8-15-28(21)23(26-22)18-11-9-12-19(25)16-18/h6-7,9-13,16H,3-5,8,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.515 kcal/mol

Physical Properties
Molecular Weight: 391.49 g/mol	logS: -6.49846	SlogP: 5.52094	Reactive groups: 0

Topological Properties
Globularity: 0.157491	Sterimol/B1: 2.39486	Sterimol/B2: 4.45676	Sterimol/B3: 5.97751
Sterimol/B4: 8.2566	Sterimol/L: 13.2171

Surface and Volume Properties
Accessible surface: 617.786	Positive charged surface: 420.336	Negative charged surface: 197.45	Volume: 384.875
Hydrophobic surface: 573.779	Hydrophilic surface: 44.007

Pharmacophoric Properties
Hydrogen bond donors: 0	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.