MMsINC Database Search


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MMsINC code: MMs02727820

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

O1c2c(cccc2)C(=C(c2ccccc2)C1=O)c1cn(nc1)-c1ccccc1

InChI:

InChI=1/C24H16N2O2/c27-24-23(17-9-3-1-4-10-17)22(20-13-7-8-14-21(20)28-24)18-15-25-26(16-18)19-11-5-2-6-12-19/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.872 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -6.47989	SlogP: 4.56769	Reactive groups: 0

Topological Properties
Globularity: 0.124513	Sterimol/B1: 2.48499	Sterimol/B2: 3.59171	Sterimol/B3: 4.1002
Sterimol/B4: 11.3331	Sterimol/L: 15.1219

Surface and Volume Properties
Accessible surface: 607.424	Positive charged surface: 318.396	Negative charged surface: 289.027	Volume: 349.625
Hydrophobic surface: 534.988	Hydrophilic surface: 72.436

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.