MMsINC Database Search


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MMsINC code: MMs02242532

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

N(Cc1ccccc1)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8578 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -3.10971	SlogP: 3.87352	Reactive groups: 0

Topological Properties
Globularity: 0.0897439	Sterimol/B1: 2.13886	Sterimol/B2: 3.61477	Sterimol/B3: 3.62052
Sterimol/B4: 6.4926	Sterimol/L: 14.1108

Surface and Volume Properties
Accessible surface: 443.245	Positive charged surface: 258.519	Negative charged surface: 184.726	Volume: 218.875
Hydrophobic surface: 434.317	Hydrophilic surface: 8.928

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.