MMsINC Database Search


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MMsINC code: MMs02310853

Type: Neutral
Formula: C₂₀H₁₉N

SMILES:

n1ccccc1C(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H19N/c1-3-9-17(10-4-1)15-19(20-13-7-8-14-21-20)16-18-11-5-2-6-12-18/h1-14,19H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5247 kcal/mol

Physical Properties
Molecular Weight: 273.379 g/mol	logS: -3.84799	SlogP: 4.65054	Reactive groups: 0

Topological Properties
Globularity: 0.156826	Sterimol/B1: 2.88122	Sterimol/B2: 3.94216	Sterimol/B3: 4.6748
Sterimol/B4: 6.31729	Sterimol/L: 14.1808

Surface and Volume Properties
Accessible surface: 516.56	Positive charged surface: 316.959	Negative charged surface: 199.601	Volume: 295.875
Hydrophobic surface: 510.589	Hydrophilic surface: 5.9709999999999

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.