MMsINC Database Search


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MMsINC code: MMs01624823

Type: Neutral
Formula: C₂₀H₁₉NO₄

SMILES:

O(C)c1c(OC)cc(NC(=O)c2cc3c(cc2)cccc3)cc1OC

InChI:

InChI=1/C20H19NO4/c1-23-17-11-16(12-18(24-2)19(17)25-3)21-20(22)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.362 kcal/mol

Physical Properties
Molecular Weight: 337.375 g/mol	logS: -5.38389	SlogP: 4.1179	Reactive groups: 0

Topological Properties
Globularity: 0.026348	Sterimol/B1: 2.47998	Sterimol/B2: 2.6884	Sterimol/B3: 3.30308
Sterimol/B4: 9.05103	Sterimol/L: 18.5335

Surface and Volume Properties
Accessible surface: 605.188	Positive charged surface: 422.483	Negative charged surface: 171.777	Volume: 325.5
Hydrophobic surface: 551.442	Hydrophilic surface: 53.746

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.