MMsINC Database Search


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MMsINC code: MMs01137809

Type: Neutral
Formula: C₂₆H₂₃FN₂O

SMILES:

Fc1ccc(-n2c(cc(C(=O)NC(C)c3ccccc3)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C26H23FN2O/c1-18(20-9-5-3-6-10-20)28-26(30)24-17-25(21-11-7-4-8-12-21)29(19(24)2)23-15-13-22(27)14-16-23/h3-18H,1-2H3,(H,28,30)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.84 kcal/mol

Physical Properties
Molecular Weight: 398.481 g/mol	logS: -6.79076	SlogP: 6.17832	Reactive groups: 0

Topological Properties
Globularity: 0.0591746	Sterimol/B1: 1.969	Sterimol/B2: 3.72269	Sterimol/B3: 3.92423
Sterimol/B4: 9.65461	Sterimol/L: 18.0957

Surface and Volume Properties
Accessible surface: 682.474	Positive charged surface: 365.727	Negative charged surface: 316.747	Volume: 395.875
Hydrophobic surface: 629.191	Hydrophilic surface: 53.283

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.