MMsINC Database Search


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MMsINC code: MMs03262460

Type: Neutral
Formula: C₂₄H₁₈N₄O

SMILES:

O=C1N(C(c2ccccc2)=C(n2nnc3c2cccc3)C=C1)c1ccc(cc1)C

InChI:

InChI=1/C24H18N4O/c1-17-11-13-19(14-12-17)27-23(29)16-15-22(24(27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-26-28/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.913 kcal/mol

Physical Properties
Molecular Weight: 378.435 g/mol	logS: -6.47451	SlogP: 4.66852	Reactive groups: 0

Topological Properties
Globularity: 0.0917549	Sterimol/B1: 3.07263	Sterimol/B2: 4.64142	Sterimol/B3: 5.59008
Sterimol/B4: 6.4152	Sterimol/L: 16.937

Surface and Volume Properties
Accessible surface: 605.742	Positive charged surface: 327.572	Negative charged surface: 278.169	Volume: 366.875
Hydrophobic surface: 526.309	Hydrophilic surface: 79.433

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: 0

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Ions/Tautomers related molecules: no related molecules available.