MMsINC Database Search


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MMsINC code: MMs02522363

Type: Neutral
Formula: C₂₆H₃₀N₄O₂

SMILES:

O=C1N(N(C)C(C)=C1C(CCC)C=1C(=O)N(N(C)C=1C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H30N4O2/c1-6-13-22(23-18(2)27(4)29(25(23)31)20-14-9-7-10-15-20)24-19(3)28(5)30(26(24)32)21-16-11-8-12-17-21/h7-12,14-17,22H,6,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.49 kcal/mol

Physical Properties
Molecular Weight: 430.552 g/mol	logS: -5.81906	SlogP: 4.7379	Reactive groups: 0

Topological Properties
Globularity: 0.267035	Sterimol/B1: 1.97029	Sterimol/B2: 2.27118	Sterimol/B3: 8.67414
Sterimol/B4: 9.39736	Sterimol/L: 15.4575

Surface and Volume Properties
Accessible surface: 728.017	Positive charged surface: 478.461	Negative charged surface: 249.556	Volume: 438
Hydrophobic surface: 683.561	Hydrophilic surface: 44.456

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.