MMsINC Database Search


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MMsINC code: MMs00691741

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(Nc1cc(NC(=O)c2ccccc2)ccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H18N2O2/c27-23(18-9-2-1-3-10-18)25-19-12-7-13-20(16-19)26-24(28)22-15-6-11-17-8-4-5-14-21(17)22/h1-16H,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.306 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.20274	SlogP: 5.3444	Reactive groups: 0

Topological Properties
Globularity: 0.0287684	Sterimol/B1: 2.41393	Sterimol/B2: 3.83038	Sterimol/B3: 4.01241
Sterimol/B4: 7.28325	Sterimol/L: 19.9333

Surface and Volume Properties
Accessible surface: 644.572	Positive charged surface: 337.191	Negative charged surface: 296.849	Volume: 358.125
Hydrophobic surface: 579.915	Hydrophilic surface: 64.657

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.