MMsINC Database Search


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MMsINC code: MMs01191390

Type: Neutral
Formula: C₂₇H₂₅FN₂O

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)Nc1cc(C)c(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C27H25FN2O/c1-17-5-13-24(14-6-17)30-20(4)25(16-26(30)21-8-10-22(28)11-9-21)27(31)29-23-12-7-18(2)19(3)15-23/h5-16H,1-4H3,(H,29,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.894 kcal/mol

Physical Properties
Molecular Weight: 412.508 g/mol	logS: -7.94127	SlogP: 6.76938	Reactive groups: 0

Topological Properties
Globularity: 0.0284668	Sterimol/B1: 2.44799	Sterimol/B2: 3.2506	Sterimol/B3: 3.73092
Sterimol/B4: 9.7408	Sterimol/L: 19.3675

Surface and Volume Properties
Accessible surface: 713.202	Positive charged surface: 401.983	Negative charged surface: 311.219	Volume: 412
Hydrophobic surface: 674.896	Hydrophilic surface: 38.306

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.