MMsINC Database Search


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MMsINC code: MMs02818324

Type: Neutral
Formula: C₂₄H₁₈N₂O₄

SMILES:

Oc1ccc2n(c3c(c2c1C(OC)=O)Cc1c(cccc1)C3=O)Cc1ncccc1

InChI:

InChI=1/C24H18N2O4/c1-30-24(29)21-19(27)10-9-18-20(21)17-12-14-6-2-3-8-16(14)23(28)22(17)26(18)13-15-7-4-5-11-25-15/h2-11,27H,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.456 kcal/mol

Physical Properties
Molecular Weight: 398.418 g/mol	logS: -4.63441	SlogP: 3.97837	Reactive groups: 0

Topological Properties
Globularity: 0.144465	Sterimol/B1: 3.12412	Sterimol/B2: 4.95606	Sterimol/B3: 5.53639
Sterimol/B4: 8.63062	Sterimol/L: 14.6253

Surface and Volume Properties
Accessible surface: 626.102	Positive charged surface: 394.088	Negative charged surface: 227.119	Volume: 368
Hydrophobic surface: 514.564	Hydrophilic surface: 111.538

Pharmacophoric Properties
Hydrogen bond donors: 1	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.