MMsINC Database Search


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MMsINC code: MMs03614475

Type: Neutral
Formula: C₂₅H₁₈N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)c1c3c(ccc1)cccc3)cc(cc2)C

InChI:

InChI=1/C25H18N2O2/c1-16-13-14-23-22(15-16)27-25(29-23)20-10-4-5-12-21(20)26-24(28)19-11-6-8-17-7-2-3-9-18(17)19/h2-15H,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.846 kcal/mol

Physical Properties
Molecular Weight: 378.431 g/mol	logS: -9.02234	SlogP: 6.20872	Reactive groups: 0

Topological Properties
Globularity: 0.0256278	Sterimol/B1: 2.67661	Sterimol/B2: 3.23428	Sterimol/B3: 3.64381
Sterimol/B4: 9.77732	Sterimol/L: 17.6845

Surface and Volume Properties
Accessible surface: 631.323	Positive charged surface: 345.904	Negative charged surface: 275.181	Volume: 365.125
Hydrophobic surface: 577.443	Hydrophilic surface: 53.88

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.