MMsINC Database Search


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MMsINC code: MMs02165035

Type: Neutral
Formula: C₂₂H₁₅N

SMILES:

n1c-2c(Cc3c-2cccc3)c(c2c1cccc2)-c1ccccc1

InChI:

InChI=1/C22H15N/c1-2-8-15(9-3-1)21-18-12-6-7-13-20(18)23-22-17-11-5-4-10-16(17)14-19(21)22/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2162 kcal/mol

Physical Properties
Molecular Weight: 293.369 g/mol	logS: -6.95241	SlogP: 5.47297	Reactive groups: 0

Topological Properties
Globularity: 0.0562618	Sterimol/B1: 2.29117	Sterimol/B2: 3.38141	Sterimol/B3: 3.42272
Sterimol/B4: 9.71254	Sterimol/L: 13.5148

Surface and Volume Properties
Accessible surface: 535.234	Positive charged surface: 295.387	Negative charged surface: 228.613	Volume: 298.375
Hydrophobic surface: 510.265	Hydrophilic surface: 24.969

Pharmacophoric Properties
Hydrogen bond donors: 0	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.