MMsINC Database Search


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MMsINC code: MMs02818305

Type: Neutral
Formula: C₁₈H₁₆N₂

SMILES:

n1cc2c(cc1)c(c1n(c3c(c1c2C)cccc3)C)C

InChI:

InChI=1/C18H16N2/c1-11-15-10-19-9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20(18)3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.245 kcal/mol

Physical Properties
Molecular Weight: 260.34 g/mol	logS: -4.6696	SlogP: 4.85574	Reactive groups: 0

Topological Properties
Globularity: 0.0159968	Sterimol/B1: 2.24111	Sterimol/B2: 2.50316	Sterimol/B3: 2.52154
Sterimol/B4: 7.72773	Sterimol/L: 14.2397

Surface and Volume Properties
Accessible surface: 468.166	Positive charged surface: 283.466	Negative charged surface: 161.196	Volume: 266.875
Hydrophobic surface: 451.979	Hydrophilic surface: 16.187

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.