MMsINC Database Search


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MMsINC code: MMs02859124

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

[nH]1c-2c(CCc3c-2cccc3)c2c3c(ccc12)cccc3

InChI:

InChI=1/C20H15N/c1-3-7-15-13(5-1)10-12-18-19(15)17-11-9-14-6-2-4-8-16(14)20(17)21-18/h1-8,10,12,21H,9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1923 kcal/mol

Physical Properties
Molecular Weight: 269.347 g/mol	logS: -6.48019	SlogP: 5.08664	Reactive groups: 0

Topological Properties
Globularity: 0.01239	Sterimol/B1: 2.72171	Sterimol/B2: 3.11382	Sterimol/B3: 3.44791
Sterimol/B4: 6.26662	Sterimol/L: 15.3034

Surface and Volume Properties
Accessible surface: 491.447	Positive charged surface: 268.005	Negative charged surface: 206.237	Volume: 273.625
Hydrophobic surface: 467.109	Hydrophilic surface: 24.338

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.