MMsINC Database Search


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MMsINC code: MMs00003449

Type: Neutral
Formula: C₁₇H₂₂N₂

SMILES:

N(C)(C)c1ccc(cc1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7478 kcal/mol

Physical Properties
Molecular Weight: 254.377 g/mol	logS: -3.35608	SlogP: 3.40937	Reactive groups: 0

Topological Properties
Globularity: 0.12741	Sterimol/B1: 2.36378	Sterimol/B2: 2.44268	Sterimol/B3: 4.88598
Sterimol/B4: 5.82231	Sterimol/L: 15.3744

Surface and Volume Properties
Accessible surface: 530.614	Positive charged surface: 423.104	Negative charged surface: 107.509	Volume: 283
Hydrophobic surface: 530.15	Hydrophilic surface: 0.46400000000006

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: no related molecules available.