MMsINC Database Search


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MMsINC code: MMs02812399

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

[nH]1c2c(cc(cc2)-c2ccccc2)cc1-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9068 kcal/mol

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

Topological Properties
Globularity: 4.37884e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10533	Sterimol/B3: 3.47661
Sterimol/B4: 5.60866	Sterimol/L: 17.9036

Surface and Volume Properties
Accessible surface: 530.379	Positive charged surface: 246.663	Negative charged surface: 266.802	Volume: 282
Hydrophobic surface: 506.982	Hydrophilic surface: 23.397

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.