MMsINC Database Search


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MMsINC code: MMs00076652

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)N1CCCC1

InChI:

InChI=1/C14H19NO4/c1-17-11-9-13(19-3)12(18-2)8-10(11)14(16)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.836 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.12854	SlogP: 1.9484	Reactive groups: 0

Topological Properties
Globularity: 0.070588	Sterimol/B1: 2.56498	Sterimol/B2: 2.639	Sterimol/B3: 4.14382
Sterimol/B4: 9.36435	Sterimol/L: 14.0518

Surface and Volume Properties
Accessible surface: 501.538	Positive charged surface: 423.7	Negative charged surface: 77.8378	Volume: 258
Hydrophobic surface: 446.701	Hydrophilic surface: 54.837

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.