MMsINC Database Search


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MMsINC code: MMs02196893

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N1CCCc2cc(ccc12)C

InChI:

InChI=1/C20H23NO4/c1-13-7-8-16-14(10-13)6-5-9-21(16)20(22)15-11-17(23-2)19(25-4)18(12-15)24-3/h7-8,10-12H,5-6,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.148 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -4.25958	SlogP: 3.61379	Reactive groups: 0

Topological Properties
Globularity: 0.0742782	Sterimol/B1: 2.44357	Sterimol/B2: 4.3978	Sterimol/B3: 4.83272
Sterimol/B4: 6.89456	Sterimol/L: 17.2216

Surface and Volume Properties
Accessible surface: 600.389	Positive charged surface: 459.552	Negative charged surface: 140.837	Volume: 334.25
Hydrophobic surface: 557.551	Hydrophilic surface: 42.838

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.