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MMsINC code: MMs02180663

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.404 kcal/mol

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

Topological Properties
Globularity: 0.20253	Sterimol/B1: 2.56343	Sterimol/B2: 5.14524	Sterimol/B3: 6.07009
Sterimol/B4: 6.4327	Sterimol/L: 14.0381

Surface and Volume Properties
Accessible surface: 558.346	Positive charged surface: 462.899	Negative charged surface: 95.4471	Volume: 311.75
Hydrophobic surface: 463.036	Hydrophilic surface: 95.31

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

MMs02180664
MDPI-ZINC03847202