MMsINC Database Search


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MMsINC code: MMs03204090

Type: Neutral
Formula: C₁₈H₃₀N₄

SMILES:

n1cn(cc1C)CCCCCCCCCCn1cc(nc1)C

InChI:

InChI=1/C18H30N4/c1-17-13-21(15-19-17)11-9-7-5-3-4-6-8-10-12-22-14-18(2)20-16-22/h13-16H,3-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6975 kcal/mol

Physical Properties
Molecular Weight: 302.466 g/mol	logS: -3.67042	SlogP: 5.05024	Reactive groups: 0

Topological Properties
Globularity: 0.0250795	Sterimol/B1: 2.43181	Sterimol/B2: 2.43728	Sterimol/B3: 4.28474
Sterimol/B4: 5.09994	Sterimol/L: 23.9703

Surface and Volume Properties
Accessible surface: 681.188	Positive charged surface: 540	Negative charged surface: 141.188	Volume: 340.75
Hydrophobic surface: 618.454	Hydrophilic surface: 62.734

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.