MMsINC Database Search


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MMsINC code: MMs01943284

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O(C)c1c2cc([nH]c2ccc1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H16N2O2/c1-24-19-8-4-7-17-16(19)12-18(22-17)20(23)21-15-10-9-13-5-2-3-6-14(13)11-15/h2-12,22H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2159 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -5.72595	SlogP: 4.582	Reactive groups: 0

Topological Properties
Globularity: 0.012959	Sterimol/B1: 2.29338	Sterimol/B2: 2.53163	Sterimol/B3: 3.44292
Sterimol/B4: 6.55042	Sterimol/L: 18.5893

Surface and Volume Properties
Accessible surface: 580.965	Positive charged surface: 334.01	Negative charged surface: 230.027	Volume: 305.5
Hydrophobic surface: 508.864	Hydrophilic surface: 72.101

Pharmacophoric Properties
Hydrogen bond donors: 2	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.