MMsINC Database Search


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MMsINC code: MMs02343111

Type: Neutral
Formula: C₁₉H₃₇N₅

SMILES:

n1c(cccc1C(CN(C)C)CN(C)C)C(CN(C)C)CN(C)C

InChI:

InChI=1/C19H37N5/c1-21(2)12-16(13-22(3)4)18-10-9-11-19(20-18)17(14-23(5)6)15-24(7)8/h9-11,16-17H,12-15H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5795 kcal/mol

Physical Properties
Molecular Weight: 335.54 g/mol	logS: 0.15668	SlogP: 1.4952	Reactive groups: 0

Topological Properties
Globularity: 0.196425	Sterimol/B1: 3.29282	Sterimol/B2: 4.11362	Sterimol/B3: 6.60171
Sterimol/B4: 7.3933	Sterimol/L: 16.6076

Surface and Volume Properties
Accessible surface: 666.464	Positive charged surface: 630.527	Negative charged surface: 35.9365	Volume: 382.75
Hydrophobic surface: 666.003	Hydrophilic surface: 0.46100000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs02343113
NCID-ZINC01717683