MMsINC Database Search


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MMsINC code: MMs01753845

Type: Neutral
Formula: C₁₇H₁₁NO₅

SMILES:

O=C1N(C)C(=O)c2c1cc(cc2)C(=O)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C17H11NO5/c1-18-15(20)12-7-6-11(8-13(12)16(18)21)14(19)9-2-4-10(5-3-9)17(22)23/h2-8H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3181 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -3.97694	SlogP: 1.8416	Reactive groups: 0

Topological Properties
Globularity: 0.0255731	Sterimol/B1: 2.52853	Sterimol/B2: 2.64565	Sterimol/B3: 2.98368
Sterimol/B4: 7.17255	Sterimol/L: 15.746

Surface and Volume Properties
Accessible surface: 506.022	Positive charged surface: 281.739	Negative charged surface: 224.284	Volume: 271.125
Hydrophobic surface: 290.654	Hydrophilic surface: 215.368

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01753846
IBS-ZINC00550212