MMsINC Database Search


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MMsINC code: MMs03215928

Type: Neutral
Formula: C₁₉H₁₇N

SMILES:

n1cc(-c2ccccc2)c(cc1Cc1ccccc1)C

InChI:

InChI=1/C19H17N/c1-15-12-18(13-16-8-4-2-5-9-16)20-14-19(15)17-10-6-3-7-11-17/h2-12,14H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.489 kcal/mol

Physical Properties
Molecular Weight: 259.352 g/mol	logS: -4.98289	SlogP: 4.64779	Reactive groups: 0

Topological Properties
Globularity: 0.105107	Sterimol/B1: 2.36352	Sterimol/B2: 3.66314	Sterimol/B3: 4.22159
Sterimol/B4: 6.61107	Sterimol/L: 15.2686

Surface and Volume Properties
Accessible surface: 520.299	Positive charged surface: 318.447	Negative charged surface: 198.396	Volume: 279.5
Hydrophobic surface: 516.347	Hydrophilic surface: 3.952

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.