MMsINC Database Search


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MMsINC code: MMs02196587

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

N(C(C)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C15H17N/c1-12-8-6-7-11-15(12)16-13(2)14-9-4-3-5-10-14/h3-11,13,16H,1-2H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6333 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.43692	SlogP: 4.26362	Reactive groups: 0

Topological Properties
Globularity: 0.095771	Sterimol/B1: 2.13034	Sterimol/B2: 3.17626	Sterimol/B3: 3.91672
Sterimol/B4: 6.57747	Sterimol/L: 13.8523

Surface and Volume Properties
Accessible surface: 457.222	Positive charged surface: 262.901	Negative charged surface: 194.321	Volume: 233.375
Hydrophobic surface: 435.608	Hydrophilic surface: 21.614

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.