MMsINC Database Search


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MMsINC code: MMs00771080

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O(C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C24H18N2O3/c1-17(27)18-12-14-21(15-13-18)29-24(28)22-16-26(20-10-6-3-7-11-20)25-23(22)19-8-4-2-5-9-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.13 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -6.3603	SlogP: 4.9611	Reactive groups: 0

Topological Properties
Globularity: 0.0398244	Sterimol/B1: 2.66346	Sterimol/B2: 4.53821	Sterimol/B3: 4.70221
Sterimol/B4: 9.19771	Sterimol/L: 19.099

Surface and Volume Properties
Accessible surface: 667.654	Positive charged surface: 345.173	Negative charged surface: 322.481	Volume: 369.5
Hydrophobic surface: 577.958	Hydrophilic surface: 89.696

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.