MMsINC Database Search


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MMsINC code: MMs00730913

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(CCNC(=O)c1c2c(ccc1)cccc2)c1ccccc1C

InChI:

InChI=1/C20H19NO2/c1-15-7-2-5-12-19(15)23-14-13-21-20(22)18-11-6-9-16-8-3-4-10-17(16)18/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)=90.1673 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.41408	SlogP: 3.95702	Reactive groups: 0

Topological Properties
Globularity: 0.0548757	Sterimol/B1: 2.24175	Sterimol/B2: 3.138	Sterimol/B3: 5.28691
Sterimol/B4: 6.03859	Sterimol/L: 18.0486

Surface and Volume Properties
Accessible surface: 574.005	Positive charged surface: 339.239	Negative charged surface: 225.159	Volume: 308.75
Hydrophobic surface: 542.06	Hydrophilic surface: 31.945

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.