MMsINC Database Search


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MMsINC code: MMs00529615

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(CCNC(=O)c1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C20H19NO2/c1-15-9-11-17(12-10-15)23-14-13-21-20(22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13-14H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0139 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.72753	SlogP: 3.95702	Reactive groups: 0

Topological Properties
Globularity: 0.0266462	Sterimol/B1: 3.00678	Sterimol/B2: 3.68453	Sterimol/B3: 3.88094
Sterimol/B4: 5.44986	Sterimol/L: 19.1878

Surface and Volume Properties
Accessible surface: 585.174	Positive charged surface: 343.057	Negative charged surface: 231.289	Volume: 309.75
Hydrophobic surface: 549.258	Hydrophilic surface: 35.916

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.