MMsINC Database Search


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MMsINC code: MMs03242979

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

N1(c2c(CCc3c1cccc3)cccc2)C

InChI:

InChI=1/C15H15N/c1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3499 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.35505	SlogP: 3.55304	Reactive groups: 0

Topological Properties
Globularity: 0.175727	Sterimol/B1: 2.12793	Sterimol/B2: 2.43759	Sterimol/B3: 4.72142
Sterimol/B4: 6.36646	Sterimol/L: 12.2259

Surface and Volume Properties
Accessible surface: 422.596	Positive charged surface: 273.493	Negative charged surface: 149.103	Volume: 223.25
Hydrophobic surface: 422.596	Hydrophilic surface: 0

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.