MMsINC Database Search


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MMsINC code: MMs03497925

Type: Neutral
Formula: C₂₀H₁₅NO₇

SMILES:

O(C(=O)C)c1ccc(cc1)C(=O)COC(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C20H15NO7/c1-12(22)28-14-8-6-13(7-9-14)17(23)11-27-18(24)10-21-19(25)15-4-2-3-5-16(15)20(21)26/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8527 kcal/mol

Physical Properties
Molecular Weight: 381.34 g/mol	logS: -4.79567	SlogP: 1.634	Reactive groups: 1

Topological Properties
Globularity: 0.031229	Sterimol/B1: 2.55731	Sterimol/B2: 3.94577	Sterimol/B3: 4.15792
Sterimol/B4: 6.33403	Sterimol/L: 21.2161

Surface and Volume Properties
Accessible surface: 654.285	Positive charged surface: 351.781	Negative charged surface: 302.505	Volume: 335.875
Hydrophobic surface: 452.003	Hydrophilic surface: 202.282

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.