MMsINC Database Search


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MMsINC code: MMs01486747

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

o1c2c(cc(OC)cc2)c(C)c1C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C19H19NO4/c1-12-16-10-15(23-3)8-9-17(16)24-18(12)19(21)20-11-13-4-6-14(22-2)7-5-13/h4-10H,11H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2639 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -5.15839	SlogP: 3.95482	Reactive groups: 0

Topological Properties
Globularity: 0.0343418	Sterimol/B1: 2.08018	Sterimol/B2: 3.06206	Sterimol/B3: 4.40064
Sterimol/B4: 7.54222	Sterimol/L: 19.5264

Surface and Volume Properties
Accessible surface: 606.615	Positive charged surface: 422.377	Negative charged surface: 178.311	Volume: 314.375
Hydrophobic surface: 534.101	Hydrophilic surface: 72.514

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.