MMsINC Database Search


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MMsINC code: MMs00870337

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)CCC(=O)N(c1ccccc1)c1ccccc1)CC(=O)c1ccccc1

InChI:

InChI=1/C24H21NO4/c26-22(19-10-4-1-5-11-19)18-29-24(28)17-16-23(27)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.308 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -5.5761	SlogP: 4.5576	Reactive groups: 1

Topological Properties
Globularity: 0.032693	Sterimol/B1: 3.64058	Sterimol/B2: 3.67712	Sterimol/B3: 4.9264
Sterimol/B4: 6.07783	Sterimol/L: 20.9376

Surface and Volume Properties
Accessible surface: 694.637	Positive charged surface: 388.326	Negative charged surface: 306.312	Volume: 376.75
Hydrophobic surface: 595.753	Hydrophilic surface: 98.884

Pharmacophoric Properties
Hydrogen bond donors: 0	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.