MMsINC Database Search


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MMsINC code: MMs01857614

Type: Neutral
Formula: C₂₄H₂₆N₄

SMILES:

n1c2nc3c(nc2n(c1-c1ccc(cc1)C(C)(C)C)C1CCCC1)cccc3

InChI:

InChI=1/C24H26N4/c1-24(2,3)17-14-12-16(13-15-17)22-27-21-23(28(22)18-8-4-5-9-18)26-20-11-7-6-10-19(20)25-21/h6-7,10-15,18H,4-5,8-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.643 kcal/mol

Physical Properties
Molecular Weight: 370.5 g/mol	logS: -9.13307	SlogP: 6.1546	Reactive groups: 0

Topological Properties
Globularity: 0.0455518	Sterimol/B1: 2.6002	Sterimol/B2: 3.93948	Sterimol/B3: 4.37269
Sterimol/B4: 7.27993	Sterimol/L: 18.2063

Surface and Volume Properties
Accessible surface: 641.402	Positive charged surface: 410.16	Negative charged surface: 231.242	Volume: 378.375
Hydrophobic surface: 530.259	Hydrophilic surface: 111.143

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.