MMsINC Database Search


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MMsINC code: MMs01515247

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O(Cc1ccccc1)c1cc(ccc1OC)\C=N\N1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C23H18N2O4/c1-28-20-12-11-17(13-21(20)29-15-16-7-3-2-4-8-16)14-24-25-22(26)18-9-5-6-10-19(18)23(25)27/h2-14H,15H2,1H3/b24-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.149 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.81053	SlogP: 4.1707	Reactive groups: 0

Topological Properties
Globularity: 0.0234474	Sterimol/B1: 1.969	Sterimol/B2: 3.60167	Sterimol/B3: 3.68192
Sterimol/B4: 9.41154	Sterimol/L: 20.3924

Surface and Volume Properties
Accessible surface: 691.553	Positive charged surface: 412.164	Negative charged surface: 279.389	Volume: 365.125
Hydrophobic surface: 568.032	Hydrophilic surface: 123.521

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.