MMsINC Database Search


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MMsINC code: MMs02236561

Type: Neutral
Formula: C₂₃H₂₂FNO₂

SMILES:

Fc1cc2c(nc(-c3ccc(cc3)C3CCCCC3)c(C)c2C(O)=O)cc1

InChI:

InChI=1/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8511 kcal/mol

Physical Properties
Molecular Weight: 363.432 g/mol	logS: -7.74143	SlogP: 6.09522	Reactive groups: 0

Topological Properties
Globularity: 0.0382482	Sterimol/B1: 2.50866	Sterimol/B2: 3.27989	Sterimol/B3: 3.50966
Sterimol/B4: 7.80144	Sterimol/L: 18.4359

Surface and Volume Properties
Accessible surface: 614.277	Positive charged surface: 364.122	Negative charged surface: 241.922	Volume: 349.375
Hydrophobic surface: 514.782	Hydrophilic surface: 99.495

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02236562
NCID-ZINC01578570