MMsINC Database Search


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MMsINC code: MMs01609979

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC)c1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9608 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.61697	SlogP: 3.8164	Reactive groups: 0

Topological Properties
Globularity: 0.0699244	Sterimol/B1: 3.63627	Sterimol/B2: 4.95076	Sterimol/B3: 5.65435
Sterimol/B4: 5.95351	Sterimol/L: 20.637

Surface and Volume Properties
Accessible surface: 713.448	Positive charged surface: 421.09	Negative charged surface: 292.358	Volume: 388.75
Hydrophobic surface: 602.672	Hydrophilic surface: 110.776

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.