MMsINC Database Search


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MMsINC code: MMs00606242

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(C)c1cc2c(cc1C(=O)Nc1c(cccc1C)C)cccc2

InChI:

InChI=1/C20H19NO2/c1-13-7-6-8-14(2)19(13)21-20(22)17-11-15-9-4-5-10-16(15)12-18(17)23-3/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)=113.631 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.60407	SlogP: 4.71754	Reactive groups: 0

Topological Properties
Globularity: 0.129037	Sterimol/B1: 2.37415	Sterimol/B2: 3.49987	Sterimol/B3: 6.95093
Sterimol/B4: 7.54421	Sterimol/L: 16.1962

Surface and Volume Properties
Accessible surface: 564.292	Positive charged surface: 345.935	Negative charged surface: 206.696	Volume: 308.25
Hydrophobic surface: 538.829	Hydrophilic surface: 25.463

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.