MMsINC Database Search


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MMsINC code: MMs00086721

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)NCc1ncccc1

InChI:

InChI=1/C20H16N2O2/c23-20(22-13-14-7-5-6-12-21-14)19-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)19/h1-12,19H,13H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3254 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -4.44657	SlogP: 3.902	Reactive groups: 0

Topological Properties
Globularity: 0.0781612	Sterimol/B1: 2.43733	Sterimol/B2: 2.81993	Sterimol/B3: 3.93914
Sterimol/B4: 8.78171	Sterimol/L: 16.1467

Surface and Volume Properties
Accessible surface: 563.706	Positive charged surface: 340.163	Negative charged surface: 223.543	Volume: 304.5
Hydrophobic surface: 520.089	Hydrophilic surface: 43.617

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.