MMsINC Database Search


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MMsINC code: MMs02263000

Type: Neutral
Formula: C₁₅H₁₂N₂O₅

SMILES:

O(N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)C(=O)C

InChI:

InChI=1/C15H12N2O5/c1-11(18)22-16(13-5-3-2-4-6-13)15(19)12-7-9-14(10-8-12)17(20)21/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.656 kcal/mol

Physical Properties
Molecular Weight: 300.27 g/mol	logS: -4.56656	SlogP: 2.7197	Reactive groups: 0

Topological Properties
Globularity: 0.0407679	Sterimol/B1: 2.08751	Sterimol/B2: 2.87167	Sterimol/B3: 3.59764
Sterimol/B4: 7.62854	Sterimol/L: 15.7401

Surface and Volume Properties
Accessible surface: 493.171	Positive charged surface: 216.127	Negative charged surface: 277.044	Volume: 262.25
Hydrophobic surface: 361.02	Hydrophilic surface: 132.151

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.