MMsINC Database Search


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MMsINC code: MMs00448509

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

[nH]1c2c(cc1-c1ccc(cc1)-c1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5812 kcal/mol

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

Topological Properties
Globularity: 3.46413e-07	Sterimol/B1: 2.09915	Sterimol/B2: 2.10054	Sterimol/B3: 3.94952
Sterimol/B4: 3.96506	Sterimol/L: 18.057

Surface and Volume Properties
Accessible surface: 524.51	Positive charged surface: 245.632	Negative charged surface: 262.763	Volume: 282.375
Hydrophobic surface: 502.413	Hydrophilic surface: 22.097

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.