MMsINC Database Search


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MMsINC code: MMs02629373

Type: Neutral
Formula: C₁₇H₂₆N₂O

SMILES:

O=C(N(C(C)C1C(C)(C)C1(C)C)Cc1ccccc1)N

InChI:

InChI=1/C17H26N2O/c1-12(14-16(2,3)17(14,4)5)19(15(18)20)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H2,18,20)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.321 kcal/mol

Physical Properties
Molecular Weight: 274.408 g/mol	logS: -4.38903	SlogP: 3.9044	Reactive groups: 0

Topological Properties
Globularity: 0.282621	Sterimol/B1: 2.59169	Sterimol/B2: 2.62357	Sterimol/B3: 4.75835
Sterimol/B4: 6.86371	Sterimol/L: 12.2222

Surface and Volume Properties
Accessible surface: 485.521	Positive charged surface: 317.172	Negative charged surface: 168.349	Volume: 295
Hydrophobic surface: 391.442	Hydrophilic surface: 94.079

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.