MMsINC Database Search


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MMsINC code: MMs02090632

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C(=O)c1c(-c2ccccc2)c([nH]c1C)C(=O)C(=O)N(CC)c1ccccc1)CC

InChI:

InChI=1/C24H24N2O4/c1-4-26(18-14-10-7-11-15-18)23(28)22(27)21-20(17-12-8-6-9-13-17)19(16(3)25-21)24(29)30-5-2/h6-15,25H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.057 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.95229	SlogP: 4.40262	Reactive groups: 0

Topological Properties
Globularity: 0.0511122	Sterimol/B1: 3.0724	Sterimol/B2: 4.10199	Sterimol/B3: 4.14717
Sterimol/B4: 8.30564	Sterimol/L: 18.936

Surface and Volume Properties
Accessible surface: 685.969	Positive charged surface: 423.299	Negative charged surface: 262.67	Volume: 393.875
Hydrophobic surface: 566.664	Hydrophilic surface: 119.305

Pharmacophoric Properties
Hydrogen bond donors: 1	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.