MMsINC Database Search


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MMsINC code: MMs00572132

Type: Neutral
Formula: C₁₇H₁₇N

SMILES:

n1(c2c(cccc2CC)cc1)Cc1ccccc1

InChI:

InChI=1/C17H17N/c1-2-15-9-6-10-16-11-12-18(17(15)16)13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8217 kcal/mol

Physical Properties
Molecular Weight: 235.33 g/mol	logS: -4.01238	SlogP: 4.51837	Reactive groups: 0

Topological Properties
Globularity: 0.10578	Sterimol/B1: 2.51942	Sterimol/B2: 3.01644	Sterimol/B3: 4.39331
Sterimol/B4: 7.73175	Sterimol/L: 14.0401

Surface and Volume Properties
Accessible surface: 465.184	Positive charged surface: 268.152	Negative charged surface: 192.215	Volume: 254.25
Hydrophobic surface: 429.841	Hydrophilic surface: 35.343

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.