MMsINC Database Search


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MMsINC code: MMs01826757

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C(=O)/C(/NC(=O)c1ccccc1)=C/c1cc2c3c(n(c2cc1)C)cccc3)C

InChI:

InChI=1/C24H20N2O3/c1-26-21-11-7-6-10-18(21)19-14-16(12-13-22(19)26)15-20(24(28)29-2)25-23(27)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,27)/b20-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.564 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.30904	SlogP: 4.6346	Reactive groups: 0

Topological Properties
Globularity: 0.0335234	Sterimol/B1: 2.55597	Sterimol/B2: 4.09362	Sterimol/B3: 4.21043
Sterimol/B4: 10.1519	Sterimol/L: 15.9148

Surface and Volume Properties
Accessible surface: 655.917	Positive charged surface: 388.672	Negative charged surface: 256.541	Volume: 373.625
Hydrophobic surface: 592.77	Hydrophilic surface: 63.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.