MMsINC Database Search


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MMsINC code: MMs00995058

Type: Neutral
Formula: C₂₄H₁₆N₂O₄

SMILES:

O1c2c(C=C(C(=O)Nc3cc(ccc3)-c3oc4cc(ccc4n3)C)C1=O)cccc2

InChI:

InChI=1/C24H16N2O4/c1-14-9-10-19-21(11-14)29-23(26-19)16-6-4-7-17(12-16)25-22(27)18-13-15-5-2-3-8-20(15)30-24(18)28/h2-13H,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.635 kcal/mol

Physical Properties
Molecular Weight: 396.402 g/mol	logS: -8.56661	SlogP: 4.74432	Reactive groups: 0

Topological Properties
Globularity: 0.0137667	Sterimol/B1: 2.9554	Sterimol/B2: 3.10353	Sterimol/B3: 3.15379
Sterimol/B4: 8.68406	Sterimol/L: 20.6464

Surface and Volume Properties
Accessible surface: 668.598	Positive charged surface: 365.863	Negative charged surface: 302.735	Volume: 362.875
Hydrophobic surface: 542.807	Hydrophilic surface: 125.791

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: 0

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Ions/Tautomers related molecules: no related molecules available.