MMsINC Database Search


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MMsINC code: MMs01067945

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)NCc2ccc(OC)cc2)c(C)c(c1)C(=O)C

InChI:

InChI=1/C23H23FN2O3/c1-15-21(16(2)27)12-22(18-6-8-19(24)9-7-18)26(15)14-23(28)25-13-17-4-10-20(29-3)11-5-17/h4-12H,13-14H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.8 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -5.02878	SlogP: 4.66302	Reactive groups: 0

Topological Properties
Globularity: 0.0294472	Sterimol/B1: 2.12679	Sterimol/B2: 2.44635	Sterimol/B3: 4.23644
Sterimol/B4: 10.4034	Sterimol/L: 19.7598

Surface and Volume Properties
Accessible surface: 677.842	Positive charged surface: 403.702	Negative charged surface: 274.14	Volume: 379.875
Hydrophobic surface: 590.016	Hydrophilic surface: 87.826

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.