MMsINC Database Search


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MMsINC code: MMs00569636

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CCNC(=O)C)c1ccc(cc1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-18(27)25-16-17-29-22-14-12-21(13-15-22)24(28)26-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,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)=86.8529 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.29712	SlogP: 3.8164	Reactive groups: 0

Topological Properties
Globularity: 0.0682975	Sterimol/B1: 3.53814	Sterimol/B2: 4.6001	Sterimol/B3: 5.27578
Sterimol/B4: 6.9744	Sterimol/L: 19.6609

Surface and Volume Properties
Accessible surface: 711.679	Positive charged surface: 419.29	Negative charged surface: 292.389	Volume: 388.375
Hydrophobic surface: 620.61	Hydrophilic surface: 91.069

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.