MMsINC Database Search


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MMsINC code: MMs00534106

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CCNC(=O)c1cc(ccc1)C(=O)NCCOc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O4/c27-23(25-14-16-29-21-10-3-1-4-11-21)19-8-7-9-20(18-19)24(28)26-15-17-30-22-12-5-2-6-13-22/h1-13,18H,14-17H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9318 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.36658	SlogP: 3.3042	Reactive groups: 0

Topological Properties
Globularity: 0.030329	Sterimol/B1: 2.23202	Sterimol/B2: 3.48686	Sterimol/B3: 4.42639
Sterimol/B4: 7.49507	Sterimol/L: 22.8759

Surface and Volume Properties
Accessible surface: 752.859	Positive charged surface: 449.018	Negative charged surface: 303.841	Volume: 398.125
Hydrophobic surface: 662.666	Hydrophilic surface: 90.193

Pharmacophoric Properties
Hydrogen bond donors: 2	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.