MMsINC Database Search


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MMsINC code: MMs01280878

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O=C1N(CCOC(=O)c2c3c(nc(CC)c2C)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C23H20N2O4/c1-3-18-14(2)20(17-10-6-7-11-19(17)24-18)23(28)29-13-12-25-21(26)15-8-4-5-9-16(15)22(25)27/h4-11H,3,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4715 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -5.37497	SlogP: 3.55859	Reactive groups: 0

Topological Properties
Globularity: 0.120791	Sterimol/B1: 2.53582	Sterimol/B2: 3.76501	Sterimol/B3: 4.57668
Sterimol/B4: 9.41582	Sterimol/L: 16.0361

Surface and Volume Properties
Accessible surface: 641.956	Positive charged surface: 369.552	Negative charged surface: 267.598	Volume: 365.625
Hydrophobic surface: 513.348	Hydrophilic surface: 128.608

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.