MMsINC Database Search


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MMsINC code: MMs01237615

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

[nH]1c2c(cccc2)c(c1-c1ccccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9836 kcal/mol

Physical Properties
Molecular Weight: 269.347 g/mol	logS: -6.49634	SlogP: 5.5019	Reactive groups: 0

Topological Properties
Globularity: 0.108402	Sterimol/B1: 2.42518	Sterimol/B2: 3.36185	Sterimol/B3: 3.58897
Sterimol/B4: 8.80797	Sterimol/L: 13.7965

Surface and Volume Properties
Accessible surface: 504.873	Positive charged surface: 283.513	Negative charged surface: 216.638	Volume: 282.5
Hydrophobic surface: 483.546	Hydrophilic surface: 21.327

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: 1

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Ions/Tautomers related molecules: no related molecules available.