MMsINC Database Search


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MMsINC code: MMs02238625

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

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

InChI:

InChI=1/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)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)=83.6824 kcal/mol

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

Topological Properties
Globularity: 0.0578242	Sterimol/B1: 2.85673	Sterimol/B2: 2.98104	Sterimol/B3: 3.19206
Sterimol/B4: 7.58201	Sterimol/L: 15.2419

Surface and Volume Properties
Accessible surface: 520.001	Positive charged surface: 273.22	Negative charged surface: 237.661	Volume: 283.375
Hydrophobic surface: 497.996	Hydrophilic surface: 22.005

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

MMs02238626
NCID-ZINC01581182