MMsINC Database Search


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MMsINC code: MMs00278619

Type: Neutral
Formula: C₂₄H₂₆FNO₂

SMILES:

Fc1ccccc1\C=C\1/N=C(OC/1=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C24H26FNO2/c1-23(2,3)17-11-16(12-18(14-17)24(4,5)6)21-26-20(22(27)28-21)13-15-9-7-8-10-19(15)25/h7-14H,1-6H3/b20-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.183 kcal/mol

Physical Properties
Molecular Weight: 379.475 g/mol	logS: -9.39115	SlogP: 5.7652	Reactive groups: 0

Topological Properties
Globularity: 0.0505213	Sterimol/B1: 2.39274	Sterimol/B2: 3.53311	Sterimol/B3: 3.96847
Sterimol/B4: 9.77182	Sterimol/L: 16.9943

Surface and Volume Properties
Accessible surface: 662.729	Positive charged surface: 397.081	Negative charged surface: 265.648	Volume: 380.75
Hydrophobic surface: 494.633	Hydrophilic surface: 168.096

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.