MMsINC Database Search


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MMsINC code: MMs01153374

Type: Neutral
Formula: C₂₃H₂₆FN₃O₃

SMILES:

Fc1ccc(-n2nc(cc2C(=O)NC(C(C)C)C)-c2ccc(OC)cc2OC)cc1

InChI:

InChI=1/C23H26FN3O3/c1-14(2)15(3)25-23(28)21-13-20(19-11-10-18(29-4)12-22(19)30-5)26-27(21)17-8-6-16(24)7-9-17/h6-15H,1-5H3,(H,25,28)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.928 kcal/mol

Physical Properties
Molecular Weight: 411.477 g/mol	logS: -5.68672	SlogP: 4.4699	Reactive groups: 0

Topological Properties
Globularity: 0.050841	Sterimol/B1: 2.62215	Sterimol/B2: 3.66785	Sterimol/B3: 3.93517
Sterimol/B4: 11.0562	Sterimol/L: 17.0387

Surface and Volume Properties
Accessible surface: 712.279	Positive charged surface: 466.776	Negative charged surface: 245.503	Volume: 397.25
Hydrophobic surface: 600.768	Hydrophilic surface: 111.511

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.