MMsINC Database Search


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MMsINC code: MMs00710196

Type: Neutral
Formula: C₁₅H₂₆N₂

SMILES:

N(CCC(C)c1ccccc1)(CCN(C)C)C

InChI:

InChI=1/C15H26N2/c1-14(15-8-6-5-7-9-15)10-11-17(4)13-12-16(2)3/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1757 kcal/mol

Physical Properties
Molecular Weight: 234.387 g/mol	logS: -1.93268	SlogP: 2.6736	Reactive groups: 0

Topological Properties
Globularity: 0.0785005	Sterimol/B1: 2.00758	Sterimol/B2: 3.70758	Sterimol/B3: 3.98042
Sterimol/B4: 5.5963	Sterimol/L: 16.8897

Surface and Volume Properties
Accessible surface: 529.969	Positive charged surface: 423.181	Negative charged surface: 106.788	Volume: 274.75
Hydrophobic surface: 506.343	Hydrophilic surface: 23.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00710197
CHEMBRIDGE-ZINC02479822