MMsINC Database Search


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MMsINC code: MMs02427781

Type: Neutral
Formula: C₁₆H₁₅N

SMILES:

N1(Cc2c(C=Cc3c1cccc3)cccc2)C

InChI:

InChI=1/C16H15N/c1-17-12-15-8-3-2-6-13(15)10-11-14-7-4-5-9-16(14)17/h2-11H,12H2,1H3/b11-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.573 kcal/mol

Physical Properties
Molecular Weight: 221.303 g/mol	logS: -3.68197	SlogP: 4.0732	Reactive groups: 0

Topological Properties
Globularity: 0.122709	Sterimol/B1: 2.15351	Sterimol/B2: 2.69914	Sterimol/B3: 4.2847
Sterimol/B4: 6.4531	Sterimol/L: 12.3341

Surface and Volume Properties
Accessible surface: 420.56	Positive charged surface: 272.865	Negative charged surface: 147.695	Volume: 232.625
Hydrophobic surface: 406.267	Hydrophilic surface: 14.293

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.