MMsINC Database Search


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MMsINC code: MMs02757491

Type: Neutral
Formula: C₂₄H₂₆N₆

SMILES:

n1nc(N2CCN(CC2)c2ccccc2)c2nn(c(c2c1C)C)-c1ccc(cc1)C

InChI:

InChI=1/C24H26N6/c1-17-9-11-21(12-10-17)30-19(3)22-18(2)25-26-24(23(22)27-30)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=268.042 kcal/mol

Physical Properties
Molecular Weight: 398.514 g/mol	logS: -5.33011	SlogP: 4.06736	Reactive groups: 0

Topological Properties
Globularity: 0.0329671	Sterimol/B1: 2.13751	Sterimol/B2: 3.03709	Sterimol/B3: 3.66553
Sterimol/B4: 11.2775	Sterimol/L: 18.6853

Surface and Volume Properties
Accessible surface: 685.456	Positive charged surface: 424.754	Negative charged surface: 255.574	Volume: 396.5
Hydrophobic surface: 607.053	Hydrophilic surface: 78.403

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: 1

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Ions/Tautomers related molecules: no related molecules available.