MMsINC Database Search


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MMsINC code: MMs02195450

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccc(cc1)C(=O)N(CCN1C(=O)c2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-13-11-17(12-14-19)22(27)25(18-7-3-2-4-8-18)15-16-26-23(28)20-9-5-6-10-21(20)24(26)29/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=186.037 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.64345	SlogP: 3.6382	Reactive groups: 0

Topological Properties
Globularity: 0.0348938	Sterimol/B1: 2.48962	Sterimol/B2: 2.57268	Sterimol/B3: 3.32718
Sterimol/B4: 10.9547	Sterimol/L: 16.1408

Surface and Volume Properties
Accessible surface: 635.572	Positive charged surface: 374.905	Negative charged surface: 260.667	Volume: 374.75
Hydrophobic surface: 548.981	Hydrophilic surface: 86.591

Pharmacophoric Properties
Hydrogen bond donors: 0	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.