MMsINC Database Search


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MMsINC code: MMs00197003

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccccc1C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-12-6-5-11-18(19)21-20(22(27)17-9-3-2-4-10-17)23(28)24(29)26(21)15-16-8-7-13-25-14-16/h2-14,20-21H,15H2,1H3/t20-,21+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0683 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -4.32108	SlogP: 3.6038	Reactive groups: 0

Topological Properties
Globularity: 0.26119	Sterimol/B1: 2.2712	Sterimol/B2: 4.46898	Sterimol/B3: 7.28812
Sterimol/B4: 7.7979	Sterimol/L: 15.1055

Surface and Volume Properties
Accessible surface: 645.236	Positive charged surface: 389.35	Negative charged surface: 255.886	Volume: 380.375
Hydrophobic surface: 537.851	Hydrophilic surface: 107.385

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00197005
ASINEX-ZINC00860790