MMsINC Database Search


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MMsINC code: MMs02968083

Type: Neutral
Formula: C₂₅H₁₈N₂

SMILES:

n1c2c(c3c(cc2)cccc3)c(cc1-c1cc(N)ccc1)-c1ccccc1

InChI:

InChI=1/C25H18N2/c26-20-11-6-10-19(15-20)24-16-22(17-7-2-1-3-8-17)25-21-12-5-4-9-18(21)13-14-23(25)27-24/h1-16H,26H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.912 kcal/mol

Physical Properties
Molecular Weight: 346.433 g/mol	logS: -8.39374	SlogP: 6.3042	Reactive groups: 0

Topological Properties
Globularity: 0.0357254	Sterimol/B1: 2.23607	Sterimol/B2: 3.55098	Sterimol/B3: 3.6183
Sterimol/B4: 9.64528	Sterimol/L: 16.1279

Surface and Volume Properties
Accessible surface: 597.35	Positive charged surface: 334.36	Negative charged surface: 243.603	Volume: 348
Hydrophobic surface: 515.216	Hydrophilic surface: 82.134

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.