MMsINC Database Search


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MMsINC code: MMs03238964

Type: Neutral
Formula: C₂₃H₂₄N₄

SMILES:

n1c2c(ccc(N(C)C)c2)c(c2c1cc(N)cc2)-c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H24N4/c1-26(2)17-8-5-15(6-9-17)23-19-11-7-16(24)13-21(19)25-22-14-18(27(3)4)10-12-20(22)23/h5-14H,24H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.747 kcal/mol

Physical Properties
Molecular Weight: 356.473 g/mol	logS: -5.82218	SlogP: 4.7692	Reactive groups: 0

Topological Properties
Globularity: 0.052181	Sterimol/B1: 2.39207	Sterimol/B2: 4.26918	Sterimol/B3: 4.65471
Sterimol/B4: 9.71279	Sterimol/L: 16.3139

Surface and Volume Properties
Accessible surface: 643.609	Positive charged surface: 487.402	Negative charged surface: 144.617	Volume: 366.375
Hydrophobic surface: 554.112	Hydrophilic surface: 89.497

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

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Ions/Tautomers related molecules: no related molecules available.