MMsINC Database Search


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MMsINC code: MMs01234759

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-29-21-14-12-20(13-15-21)24(25-22(27)16-18-8-4-2-5-9-18)26-23(28)17-19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0305 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.29343	SlogP: 3.50704	Reactive groups: 0

Topological Properties
Globularity: 0.0681308	Sterimol/B1: 3.11922	Sterimol/B2: 4.01382	Sterimol/B3: 5.87809
Sterimol/B4: 8.74792	Sterimol/L: 17.6338

Surface and Volume Properties
Accessible surface: 717.526	Positive charged surface: 451.17	Negative charged surface: 266.355	Volume: 390
Hydrophobic surface: 648.932	Hydrophilic surface: 68.594

Pharmacophoric Properties
Hydrogen bond donors: 2	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.