MMsINC Database Search


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MMsINC code: MMs00872598

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cc(cc2)C)ccc1-c1cc2cc(ccc2nc1)C

InChI:

InChI=1/C20H16N2/c1-13-4-7-19-15(9-13)5-8-20(22-19)17-11-16-10-14(2)3-6-18(16)21-12-17/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1643 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.90498	SlogP: 5.06684	Reactive groups: 0

Topological Properties
Globularity: 0.00413396	Sterimol/B1: 2.51201	Sterimol/B2: 2.51483	Sterimol/B3: 3.52781
Sterimol/B4: 5.52238	Sterimol/L: 17.3173

Surface and Volume Properties
Accessible surface: 542.996	Positive charged surface: 310.302	Negative charged surface: 216.763	Volume: 291.625
Hydrophobic surface: 502.294	Hydrophilic surface: 40.702

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.