MMsINC Database Search


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MMsINC code: MMs03212308

Type: Neutral
Formula: C₁₆H₁₉N

SMILES:

N(C)(C)c1ccc(cc1)CCc1ccccc1

InChI:

InChI=1/C16H19N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1679 kcal/mol

Physical Properties
Molecular Weight: 225.335 g/mol	logS: -3.80359	SlogP: 3.53774	Reactive groups: 0

Topological Properties
Globularity: 0.0212334	Sterimol/B1: 2.35528	Sterimol/B2: 2.45564	Sterimol/B3: 2.99168
Sterimol/B4: 4.89206	Sterimol/L: 16.3737

Surface and Volume Properties
Accessible surface: 495.468	Positive charged surface: 335.18	Negative charged surface: 160.288	Volume: 252.375
Hydrophobic surface: 495.237	Hydrophilic surface: 0.23099999999999

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.