MMsINC Database Search


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MMsINC code: MMs03582368

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(C)c1c(OC)c(OC)ccc1\C=C\C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C20H23NO4/c1-14(15-8-6-5-7-9-15)21-18(22)13-11-16-10-12-17(23-2)20(25-4)19(16)24-3/h5-14H,1-4H3,(H,21,22)/b13-11+/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.458 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -4.28308	SlogP: 3.6985	Reactive groups: 0

Topological Properties
Globularity: 0.046239	Sterimol/B1: 2.23985	Sterimol/B2: 4.02077	Sterimol/B3: 5.26204
Sterimol/B4: 6.81046	Sterimol/L: 17.9828

Surface and Volume Properties
Accessible surface: 646.947	Positive charged surface: 452.445	Negative charged surface: 194.502	Volume: 344.75
Hydrophobic surface: 570.053	Hydrophilic surface: 76.894

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.