MMsINC Database Search


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MMsINC code: MMs01421445

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)CCn1c(C)c(cc1C)C(=O)COc1ccccc1C(=O)N

InChI:

InChI=1/C23H23FN2O3/c1-15-13-20(16(2)26(15)12-11-17-7-9-18(24)10-8-17)21(27)14-29-22-6-4-3-5-19(22)23(25)28/h3-10,13H,11-12,14H2,1-2H3,(H2,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1213 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -4.87499	SlogP: 4.11371	Reactive groups: 0

Topological Properties
Globularity: 0.0125376	Sterimol/B1: 2.27706	Sterimol/B2: 2.71473	Sterimol/B3: 3.17729
Sterimol/B4: 8.07965	Sterimol/L: 21.0388

Surface and Volume Properties
Accessible surface: 672.581	Positive charged surface: 383.855	Negative charged surface: 288.726	Volume: 379.125
Hydrophobic surface: 543.602	Hydrophilic surface: 128.979

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.