MMsINC Database Search


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MMsINC code: MMs02019961

Type: Neutral
Formula: C₂₆H₁₈N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)c1ccc(cc1)-c1ccccc1)cccc2

InChI:

InChI=1/C26H18N2O2/c29-25(20-16-14-19(15-17-20)18-8-2-1-3-9-18)27-22-11-5-4-10-21(22)26-28-23-12-6-7-13-24(23)30-26/h1-17H,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.786 kcal/mol

Physical Properties
Molecular Weight: 390.442 g/mol	logS: -9.09692	SlogP: 6.4141	Reactive groups: 0

Topological Properties
Globularity: 0.0119493	Sterimol/B1: 2.54526	Sterimol/B2: 2.90493	Sterimol/B3: 6.12675
Sterimol/B4: 7.58709	Sterimol/L: 17.6494

Surface and Volume Properties
Accessible surface: 663.338	Positive charged surface: 332.737	Negative charged surface: 319.529	Volume: 379.625
Hydrophobic surface: 601.696	Hydrophilic surface: 61.642

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.