MMsINC Database Search


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MMsINC code: MMs01925670

Type: Neutral
Formula: C₂₃H₂₄N₄

SMILES:

[nH]1c2c(ncnc2N2CCC(CC2)Cc2ccccc2)c2c1cccc2C

InChI:

InChI=1/C23H24N4/c1-16-6-5-9-19-20(16)21-22(26-19)23(25-15-24-21)27-12-10-18(11-13-27)14-17-7-3-2-4-8-17/h2-9,15,18,26H,10-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.212 kcal/mol

Physical Properties
Molecular Weight: 356.473 g/mol	logS: -5.87724	SlogP: 4.87859	Reactive groups: 0

Topological Properties
Globularity: 0.0499316	Sterimol/B1: 2.99256	Sterimol/B2: 4.47353	Sterimol/B3: 5.13418
Sterimol/B4: 5.74335	Sterimol/L: 17.3867

Surface and Volume Properties
Accessible surface: 630.305	Positive charged surface: 421.657	Negative charged surface: 203.36	Volume: 363.5
Hydrophobic surface: 552.84	Hydrophilic surface: 77.465

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.