MMsINC Database Search


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MMsINC code: MMs01144574

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

o1c2cc(n(c2cc1C)Cc1cc(OC)ccc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-17-13-21-23(29-17)15-22(24(27)25-12-11-18-7-4-3-5-8-18)26(21)16-19-9-6-10-20(14-19)28-2/h3-10,13-15H,11-12,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.521 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.39633	SlogP: 4.83849	Reactive groups: 0

Topological Properties
Globularity: 0.0794836	Sterimol/B1: 2.97889	Sterimol/B2: 3.72967	Sterimol/B3: 4.0439
Sterimol/B4: 8.22778	Sterimol/L: 18.8629

Surface and Volume Properties
Accessible surface: 673.921	Positive charged surface: 419.746	Negative charged surface: 254.175	Volume: 387
Hydrophobic surface: 605.752	Hydrophilic surface: 68.169

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.