MMsINC Database Search


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MMsINC code: MMs03295030

Type: Neutral
Formula: C₂₄H₂₆N₄

SMILES:

n1cnc2c(n(c3c2cc(cc3)C)C)c1N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C24H26N4/c1-17-8-9-21-20(14-17)22-23(27(21)2)24(26-16-25-22)28-12-10-19(11-13-28)15-18-6-4-3-5-7-18/h3-9,14,16,19H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6662 kcal/mol

Physical Properties
Molecular Weight: 370.5 g/mol	logS: -5.77125	SlogP: 5.24819	Reactive groups: 0

Topological Properties
Globularity: 0.0650133	Sterimol/B1: 3.33177	Sterimol/B2: 3.85396	Sterimol/B3: 4.93985
Sterimol/B4: 6.14099	Sterimol/L: 19.628

Surface and Volume Properties
Accessible surface: 644.34	Positive charged surface: 443.157	Negative charged surface: 195.252	Volume: 382
Hydrophobic surface: 573.304	Hydrophilic surface: 71.036

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

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Ions/Tautomers related molecules: no related molecules available.