MMsINC Database Search


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MMsINC code: MMs02267538

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(C(C(N)c1ccccc1)C)C

InChI:

InChI=1/C10H16N2/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,11H2,1-2H3/t8-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7264 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -1.14395	SlogP: 1.3898	Reactive groups: 0

Topological Properties
Globularity: 0.219736	Sterimol/B1: 3.45347	Sterimol/B2: 3.7277	Sterimol/B3: 3.79376
Sterimol/B4: 5.36839	Sterimol/L: 11.0542

Surface and Volume Properties
Accessible surface: 384.536	Positive charged surface: 271.878	Negative charged surface: 112.657	Volume: 185
Hydrophobic surface: 306.816	Hydrophilic surface: 77.72

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02267540
NCID-ZINC01618897