MMsINC Database Search


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MMsINC code: MMs02986639

Type: Neutral
Formula: C₁₅H₁₅NO₅

SMILES:

O(Cc1cc(OC)cc(OC)c1)c1cc([N+](=O)[O-])ccc1

InChI:

InChI=1/C15H15NO5/c1-19-14-6-11(7-15(9-14)20-2)10-21-13-5-3-4-12(8-13)16(17)18/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3805 kcal/mol

Physical Properties
Molecular Weight: 289.287 g/mol	logS: -4.09415	SlogP: 3.4574	Reactive groups: 0

Topological Properties
Globularity: 0.0867419	Sterimol/B1: 2.49257	Sterimol/B2: 4.41123	Sterimol/B3: 4.55549
Sterimol/B4: 7.10333	Sterimol/L: 15.8279

Surface and Volume Properties
Accessible surface: 534.314	Positive charged surface: 325.882	Negative charged surface: 208.432	Volume: 265.125
Hydrophobic surface: 423.063	Hydrophilic surface: 111.251

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.