MMsINC Database Search


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MMsINC code: MMs01653972

Type: Neutral
Formula: C₁₅H₁₁N₃O₅

SMILES:

O(C)c1cc(C(=O)c2cc3c(nc2)NC(=O)NC3=O)c(O)cc1

InChI:

InChI=1/C15H11N3O5/c1-23-8-2-3-11(19)9(5-8)12(20)7-4-10-13(16-6-7)17-15(22)18-14(10)21/h2-6,19H,1H3,(H2,16,17,18,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.5632 kcal/mol

Physical Properties
Molecular Weight: 313.269 g/mol	logS: -2.75226	SlogP: 1.3021	Reactive groups: 0

Topological Properties
Globularity: 0.0985241	Sterimol/B1: 2.52438	Sterimol/B2: 3.01472	Sterimol/B3: 5.2601
Sterimol/B4: 6.30185	Sterimol/L: 15.474

Surface and Volume Properties
Accessible surface: 510.144	Positive charged surface: 325.862	Negative charged surface: 184.282	Volume: 263.75
Hydrophobic surface: 245.392	Hydrophilic surface: 264.752

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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.