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MMsINC code: MMs02180661

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(C)c1cc2C3c4cc(OC)c(O)cc4CN(C3)Cc2cc1OC

InChI:

InChI=1/C19H21NO4/c1-22-17-6-13-11(4-16(17)21)8-20-9-12-5-18(23-2)19(24-3)7-14(12)15(13)10-20/h4-7,15,21H,8-10H2,1-3H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.03 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -2.99425	SlogP: 3.4119	Reactive groups: 0

Topological Properties
Globularity: 0.225934	Sterimol/B1: 2.88188	Sterimol/B2: 5.26602	Sterimol/B3: 6.10869
Sterimol/B4: 6.37997	Sterimol/L: 13.6245

Surface and Volume Properties
Accessible surface: 551.949	Positive charged surface: 458.915	Negative charged surface: 93.0342	Volume: 313.75
Hydrophobic surface: 460.215	Hydrophilic surface: 91.734

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02180662
MDPI-ZINC03847201