MMsINC Database Search


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MMsINC code: MMs01668994

Type: Neutral
Formula: C₁₉H₁₅NO₆

SMILES:

O(C)c1ccc(cc1[N+](=O)[O-])C(Oc1cc2cc(OC)ccc2cc1)=O

InChI:

InChI=1/C19H15NO6/c1-24-15-6-3-12-4-7-16(10-14(12)9-15)26-19(21)13-5-8-18(25-2)17(11-13)20(22)23/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.267 kcal/mol

Physical Properties
Molecular Weight: 353.33 g/mol	logS: -6.26781	SlogP: 3.9844	Reactive groups: 0

Topological Properties
Globularity: 0.043458	Sterimol/B1: 2.90227	Sterimol/B2: 3.11939	Sterimol/B3: 4.54769
Sterimol/B4: 5.55598	Sterimol/L: 19.7406

Surface and Volume Properties
Accessible surface: 596.56	Positive charged surface: 352.895	Negative charged surface: 235.302	Volume: 313.75
Hydrophobic surface: 475.406	Hydrophilic surface: 121.154

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.