MMsINC Database Search


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MMsINC code: MMs03216602

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

N(Cc1ccccc1)c1cccc(C)c1C

InChI:

InChI=1/C15H17N/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7901 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.58363	SlogP: 4.18194	Reactive groups: 0

Topological Properties
Globularity: 0.0758184	Sterimol/B1: 2.81315	Sterimol/B2: 3.61431	Sterimol/B3: 3.62315
Sterimol/B4: 5.9103	Sterimol/L: 14.4548

Surface and Volume Properties
Accessible surface: 465.203	Positive charged surface: 274.256	Negative charged surface: 190.947	Volume: 236.25
Hydrophobic surface: 456.751	Hydrophilic surface: 8.452

Pharmacophoric Properties
Hydrogen bond donors: 1	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.