MMsINC Database Search


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MMsINC code: MMs00690377

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

N(C)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C14H15N/c1-15-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7578 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -2.98427	SlogP: 3.31907	Reactive groups: 0

Topological Properties
Globularity: 0.149611	Sterimol/B1: 2.4478	Sterimol/B2: 3.0604	Sterimol/B3: 3.6431
Sterimol/B4: 7.55103	Sterimol/L: 11.3807

Surface and Volume Properties
Accessible surface: 424.507	Positive charged surface: 274.111	Negative charged surface: 150.396	Volume: 217.125
Hydrophobic surface: 419.47	Hydrophilic surface: 5.037

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.