MMsINC Database Search


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MMsINC code: MMs01147271

Type: Neutral
Formula: C₂₆H₃₂FN₃O

SMILES:

Fc1cc(ccc1)Cn1cccc1CN(CC(C)C)C(=O)Nc1ccc(cc1)C(C)C

InChI:

InChI=1/C26H32FN3O/c1-19(2)16-30(26(31)28-24-12-10-22(11-13-24)20(3)4)18-25-9-6-14-29(25)17-21-7-5-8-23(27)15-21/h5-15,19-20H,16-18H2,1-4H3,(H,28,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6949 kcal/mol

Physical Properties
Molecular Weight: 421.56 g/mol	logS: -5.87824	SlogP: 7.0218	Reactive groups: 0

Topological Properties
Globularity: 0.0859423	Sterimol/B1: 2.31876	Sterimol/B2: 4.72914	Sterimol/B3: 4.88212
Sterimol/B4: 9.54354	Sterimol/L: 19.9151

Surface and Volume Properties
Accessible surface: 735.285	Positive charged surface: 448.309	Negative charged surface: 286.975	Volume: 435.625
Hydrophobic surface: 610.595	Hydrophilic surface: 124.69

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.