MMsINC Database Search


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MMsINC code: MMs03215391

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

Nc1ccc(-c2ccccc2)c(C)c1C

InChI:

InChI=1/C14H15N/c1-10-11(2)14(15)9-8-13(10)12-6-4-3-5-7-12/h3-9H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6313 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -4.16653	SlogP: 3.55264	Reactive groups: 0

Topological Properties
Globularity: 0.0698658	Sterimol/B1: 2.03717	Sterimol/B2: 2.56964	Sterimol/B3: 3.44385
Sterimol/B4: 6.35814	Sterimol/L: 12.841

Surface and Volume Properties
Accessible surface: 414.291	Positive charged surface: 251.614	Negative charged surface: 159.804	Volume: 214.5
Hydrophobic surface: 361.972	Hydrophilic surface: 52.319

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.