MMsINC Database Search


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MMsINC code: MMs02321498

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

N(C)(C)c1ccc(cc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2608 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -3.73867	SlogP: 3.4196	Reactive groups: 0

Topological Properties
Globularity: 0.00888378	Sterimol/B1: 2.35873	Sterimol/B2: 2.51333	Sterimol/B3: 2.51577
Sterimol/B4: 4.89654	Sterimol/L: 14.1538

Surface and Volume Properties
Accessible surface: 428.838	Positive charged surface: 270.222	Negative charged surface: 147.995	Volume: 220.125
Hydrophobic surface: 428.374	Hydrophilic surface: 0.464

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.