MMsINC Database Search


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MMsINC code: MMs02828365

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

OC(C(O)(c1ccccc1)c1cccnc1)(c1ccccc1)c1cccnc1

InChI:

InChI=1/C24H20N2O2/c27-23(19-9-3-1-4-10-19,21-13-7-15-25-17-21)24(28,20-11-5-2-6-12-20)22-14-8-16-26-18-22/h1-18,27-28H/t23-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=789.137 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -3.74078	SlogP: 4.2716	Reactive groups: 0

Topological Properties
Globularity: 0.399179	Sterimol/B1: 2.55996	Sterimol/B2: 3.18654	Sterimol/B3: 6.20234
Sterimol/B4: 8.9083	Sterimol/L: 13.9619

Surface and Volume Properties
Accessible surface: 549.311	Positive charged surface: 349.598	Negative charged surface: 199.713	Volume: 347.625
Hydrophobic surface: 477.029	Hydrophilic surface: 72.282

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.