MMsINC Database Search


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MMsINC code: MMs00276607

Type: Neutral
Formula: C₂₅H₂₆N₄

SMILES:

n1(c2c(cc(cc2)\C=N\N2CCN(CC2)c2ccccc2)c2c1cccc2)CC

InChI:

InChI=1/C25H26N4/c1-2-29-24-11-7-6-10-22(24)23-18-20(12-13-25(23)29)19-26-28-16-14-27(15-17-28)21-8-4-3-5-9-21/h3-13,18-19H,2,14-17H2,1H3/b26-19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.711 kcal/mol

Physical Properties
Molecular Weight: 382.511 g/mol	logS: -5.48702	SlogP: 5.2369	Reactive groups: 0

Topological Properties
Globularity: 0.0220595	Sterimol/B1: 2.33596	Sterimol/B2: 3.48534	Sterimol/B3: 3.55434
Sterimol/B4: 8.36777	Sterimol/L: 20.9202

Surface and Volume Properties
Accessible surface: 694.673	Positive charged surface: 447.411	Negative charged surface: 235.323	Volume: 395.5
Hydrophobic surface: 637.591	Hydrophilic surface: 57.082

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.