MMsINC Database Search


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MMsINC code: MMs02578278

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)CC)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7066 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.33486	SlogP: 4.46287	Reactive groups: 0

Topological Properties
Globularity: 0.0206776	Sterimol/B1: 2.78649	Sterimol/B2: 4.34524	Sterimol/B3: 4.53124
Sterimol/B4: 6.61338	Sterimol/L: 23.1339

Surface and Volume Properties
Accessible surface: 732.648	Positive charged surface: 436.12	Negative charged surface: 296.529	Volume: 389.5
Hydrophobic surface: 608.129	Hydrophilic surface: 124.519

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.