MMsINC Database Search


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MMsINC code: MMs00811575

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C1N(CCNc2c3c(ccc2)cccc3)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H18N2O2/c27-23-19-11-3-8-17-9-4-12-20(22(17)19)24(28)26(23)15-14-25-21-13-5-7-16-6-1-2-10-18(16)21/h1-13,25H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.695 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.28129	SlogP: 4.7011	Reactive groups: 0

Topological Properties
Globularity: 0.084463	Sterimol/B1: 3.49281	Sterimol/B2: 4.83539	Sterimol/B3: 4.84372
Sterimol/B4: 6.00854	Sterimol/L: 18.4862

Surface and Volume Properties
Accessible surface: 629.376	Positive charged surface: 333.918	Negative charged surface: 272.5	Volume: 353.125
Hydrophobic surface: 556.43	Hydrophilic surface: 72.946

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: 0

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Ions/Tautomers related molecules: no related molecules available.