MMsINC Database Search


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MMsINC code: MMs03241808

Type: Neutral
Formula: C₁₉H₁₅N

SMILES:

n1ccc(cc1)C=C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H15N/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)15-16-11-13-20-14-12-16/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3709 kcal/mol

Physical Properties
Molecular Weight: 257.336 g/mol	logS: -4.77841	SlogP: 4.48779	Reactive groups: 0

Topological Properties
Globularity: 0.168017	Sterimol/B1: 2.42191	Sterimol/B2: 3.39248	Sterimol/B3: 3.56449
Sterimol/B4: 8.13025	Sterimol/L: 13.5544

Surface and Volume Properties
Accessible surface: 497.934	Positive charged surface: 313.648	Negative charged surface: 184.286	Volume: 272.5
Hydrophobic surface: 481.57	Hydrophilic surface: 16.364

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.