MMsINC Database Search


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MMsINC code: MMs01502525

Type: Neutral
Formula: C₂₀H₁₉NO₃

SMILES:

O(C)c1cc(cc(OC)c1C)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19NO3/c1-13-18(23-2)11-16(12-19(13)24-3)20(22)21-17-9-8-14-6-4-5-7-15(14)10-17/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)=102.552 kcal/mol

Physical Properties
Molecular Weight: 321.376 g/mol	logS: -5.49398	SlogP: 4.41772	Reactive groups: 0

Topological Properties
Globularity: 0.0251092	Sterimol/B1: 2.6959	Sterimol/B2: 3.18143	Sterimol/B3: 5.76938
Sterimol/B4: 5.96201	Sterimol/L: 17.1904

Surface and Volume Properties
Accessible surface: 592.799	Positive charged surface: 396.961	Negative charged surface: 184.486	Volume: 315.5
Hydrophobic surface: 548.664	Hydrophilic surface: 44.135

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.