MMsINC Database Search


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MMsINC code: MMs00534192

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C(=O)N1CCOCC1

InChI:

InChI=1/C21H19FN2O3/c22-16-7-5-15(6-8-16)13-24-14-18(17-3-1-2-4-19(17)24)20(25)21(26)23-9-11-27-12-10-23/h1-8,14H,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.433 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -4.29464	SlogP: 3.1366	Reactive groups: 0

Topological Properties
Globularity: 0.089837	Sterimol/B1: 2.45698	Sterimol/B2: 3.44419	Sterimol/B3: 4.49326
Sterimol/B4: 9.82241	Sterimol/L: 15.3004

Surface and Volume Properties
Accessible surface: 600.601	Positive charged surface: 377.667	Negative charged surface: 217.349	Volume: 340.375
Hydrophobic surface: 521.485	Hydrophilic surface: 79.116

Pharmacophoric Properties
Hydrogen bond donors: 0	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.