MMsINC Database Search


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MMsINC code: MMs02178289

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(Nc1c2c(ccc1)cccc2NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H18N2O2/c27-23(18-9-3-1-4-10-18)25-20-15-7-13-17-14-8-16-21(22(17)20)26-24(28)19-11-5-2-6-12-19/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)=175.951 kcal/mol

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

Topological Properties
Globularity: 0.0896096	Sterimol/B1: 2.91862	Sterimol/B2: 3.67689	Sterimol/B3: 4.7042
Sterimol/B4: 6.26315	Sterimol/L: 14.6065

Surface and Volume Properties
Accessible surface: 544.394	Positive charged surface: 300.718	Negative charged surface: 235.592	Volume: 351
Hydrophobic surface: 487.339	Hydrophilic surface: 57.055

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.