MMsINC Database Search


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MMsINC code: MMs02931170

Type: Neutral
Formula: C₁₇H₁₉NO₄

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)NOCc1ccc(cc1)C

InChI:

InChI=1/C17H19NO4/c1-12-4-6-13(7-5-12)11-22-18-17(19)14-8-15(20-2)10-16(9-14)21-3/h4-10H,11H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6806 kcal/mol

Physical Properties
Molecular Weight: 301.342 g/mol	logS: -4.12815	SlogP: 3.14022	Reactive groups: 0

Topological Properties
Globularity: 0.0278711	Sterimol/B1: 3.61752	Sterimol/B2: 3.61824	Sterimol/B3: 3.77481
Sterimol/B4: 5.67181	Sterimol/L: 18.9034

Surface and Volume Properties
Accessible surface: 590.667	Positive charged surface: 394.774	Negative charged surface: 195.893	Volume: 296
Hydrophobic surface: 504.981	Hydrophilic surface: 85.686

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.