MMsINC Database Search


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MMsINC code: MMs02944710

Type: Neutral
Formula: C₂₄H₁₆N₂O₅

SMILES:

o1cccc1-c1nc2cc(ccc2nc1-c1occc1)C(Oc1ccc(OC)cc1)=O

InChI:

InChI=1/C24H16N2O5/c1-28-16-7-9-17(10-8-16)31-24(27)15-6-11-18-19(14-15)26-23(21-5-3-13-30-21)22(25-18)20-4-2-12-29-20/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.788 kcal/mol

Physical Properties
Molecular Weight: 412.401 g/mol	logS: -6.77378	SlogP: 5.3776	Reactive groups: 0

Topological Properties
Globularity: 0.0204233	Sterimol/B1: 2.49805	Sterimol/B2: 4.42985	Sterimol/B3: 5.30555
Sterimol/B4: 5.4449	Sterimol/L: 21.8273

Surface and Volume Properties
Accessible surface: 697.333	Positive charged surface: 403.684	Negative charged surface: 293.648	Volume: 377.75
Hydrophobic surface: 602.106	Hydrophilic surface: 95.227

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.