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MMsINC code: MMs02352968

Type: Neutral
Formula: C₁₅H₁₅NO₄

SMILES:

O(C)c1cc(C(O)=O)c(Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-8-7-12(20-2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9761 kcal/mol

Physical Properties
Molecular Weight: 273.288 g/mol	logS: -3.07536	SlogP: 3.1456	Reactive groups: 0

Topological Properties
Globularity: 0.16398	Sterimol/B1: 2.23682	Sterimol/B2: 4.34803	Sterimol/B3: 4.58838
Sterimol/B4: 6.16484	Sterimol/L: 15.1978

Surface and Volume Properties
Accessible surface: 499.486	Positive charged surface: 357.931	Negative charged surface: 141.555	Volume: 257.375
Hydrophobic surface: 384.266	Hydrophilic surface: 115.22

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02352969
NCID-ZINC01729836