MMsINC Database Search


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MMsINC code: MMs03261582

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O=C1N(C(c2ccccc2)=C(n2nnc3c2cccc3)CC1)c1ccc(cc1)C

InChI:

InChI=1/C24H20N4O/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/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.94 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -5.73253	SlogP: 4.89252	Reactive groups: 0

Topological Properties
Globularity: 0.151536	Sterimol/B1: 2.92982	Sterimol/B2: 5.34796	Sterimol/B3: 5.37122
Sterimol/B4: 6.64196	Sterimol/L: 16.4715

Surface and Volume Properties
Accessible surface: 614.556	Positive charged surface: 349.68	Negative charged surface: 264.876	Volume: 370.875
Hydrophobic surface: 538.369	Hydrophilic surface: 76.187

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.