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MMsINC code: MMs01941458

Type: Neutral
Formula: C₂₃H₂₄N₄O

SMILES:

o1c2ncnc(NCCCN(C)C)c2c(c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H24N4O/c1-27(2)15-9-14-24-22-20-19(17-10-5-3-6-11-17)21(18-12-7-4-8-13-18)28-23(20)26-16-25-22/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5559 kcal/mol

Physical Properties
Molecular Weight: 372.472 g/mol	logS: -7.52651	SlogP: 4.9204	Reactive groups: 0

Topological Properties
Globularity: 0.0527618	Sterimol/B1: 3.1659	Sterimol/B2: 3.81775	Sterimol/B3: 5.16037
Sterimol/B4: 7.60479	Sterimol/L: 18.1536

Surface and Volume Properties
Accessible surface: 664.123	Positive charged surface: 494.428	Negative charged surface: 165.117	Volume: 380.125
Hydrophobic surface: 564.953	Hydrophilic surface: 99.17

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01941459
IBS-ZINC05345728