MMsINC Database Search


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MMsINC code: MMs03925784

Type: Neutral
Formula: C₁₂H₂₀N₂

SMILES:

N(Cc1ccc(cc1)CN(C)C)(C)C

InChI:

InChI=1/C12H20N2/c1-13(2)9-11-5-7-12(8-6-11)10-14(3)4/h5-8H,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4086 kcal/mol

Physical Properties
Molecular Weight: 192.306 g/mol	logS: -1.12778	SlogP: 2.3426	Reactive groups: 0

Topological Properties
Globularity: 0.0688897	Sterimol/B1: 3.2203	Sterimol/B2: 3.37943	Sterimol/B3: 3.54002
Sterimol/B4: 3.85624	Sterimol/L: 14.3225

Surface and Volume Properties
Accessible surface: 443.194	Positive charged surface: 387.626	Negative charged surface: 55.5682	Volume: 221.375
Hydrophobic surface: 427.205	Hydrophilic surface: 15.989

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03925785
SIAL-ZINC04798137