MMsINC Database Search


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MMsINC code: MMs02818387

Type: Neutral
Formula: C₂₄H₁₆N₂O₅

SMILES:

Oc1ccc2n(c3c(c2c1C(OC)=O)C(=O)c1c(cccc1)C3=O)Cc1ncccc1

InChI:

InChI=1/C24H16N2O5/c1-31-24(30)19-17(27)10-9-16-18(19)20-21(26(16)12-13-6-4-5-11-25-13)23(29)15-8-3-2-7-14(15)22(20)28/h2-11,27H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.208 kcal/mol

Physical Properties
Molecular Weight: 412.401 g/mol	logS: -4.90429	SlogP: 3.6186	Reactive groups: 0

Topological Properties
Globularity: 0.138363	Sterimol/B1: 2.9613	Sterimol/B2: 4.91148	Sterimol/B3: 5.09388
Sterimol/B4: 9.39017	Sterimol/L: 14.3901

Surface and Volume Properties
Accessible surface: 625.911	Positive charged surface: 393.208	Negative charged surface: 228.09	Volume: 370.875
Hydrophobic surface: 500.99	Hydrophilic surface: 124.921

Pharmacophoric Properties
Hydrogen bond donors: 1	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.