MMsINC Database Search


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MMsINC code: MMs01229098

Type: Neutral
Formula: C₁₇H₁₉NO₄

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C17H19NO4/c1-11-5-7-12(8-6-11)18-17(19)13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10H,1-4H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.687 kcal/mol

Physical Properties
Molecular Weight: 301.342 g/mol	logS: -3.97993	SlogP: 3.27312	Reactive groups: 0

Topological Properties
Globularity: 0.020676	Sterimol/B1: 2.65959	Sterimol/B2: 2.85092	Sterimol/B3: 5.34845
Sterimol/B4: 6.81363	Sterimol/L: 17.3951

Surface and Volume Properties
Accessible surface: 564.814	Positive charged surface: 424.028	Negative charged surface: 140.786	Volume: 290.875
Hydrophobic surface: 511.915	Hydrophilic surface: 52.899

Pharmacophoric Properties
Hydrogen bond donors: 1	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.