MMsINC Database Search


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MMsINC code: MMs02880433

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)N(C)c1ccccc1)c1ccccc1C(=O)NCCOc1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-26(19-10-4-2-5-11-19)23(27)18-30-22-15-9-8-14-21(22)24(28)25-16-17-29-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.353 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.31655	SlogP: 3.5372	Reactive groups: 0

Topological Properties
Globularity: 0.035994	Sterimol/B1: 3.34746	Sterimol/B2: 4.06016	Sterimol/B3: 5.217
Sterimol/B4: 7.08673	Sterimol/L: 21.3398

Surface and Volume Properties
Accessible surface: 735.107	Positive charged surface: 461.19	Negative charged surface: 273.918	Volume: 399
Hydrophobic surface: 669.4	Hydrophilic surface: 65.707

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.