MMsINC Database Search


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MMsINC code: MMs00691060

Type: Neutral
Formula: C₁₈H₁₅N

SMILES:

n1cc(C)c(cc1)\C=C\c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H15N/c1-14-13-19-12-11-15(14)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-13H,1H3/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1551 kcal/mol

Physical Properties
Molecular Weight: 245.325 g/mol	logS: -5.03927	SlogP: 4.71362	Reactive groups: 0

Topological Properties
Globularity: 0.00374138	Sterimol/B1: 2.11344	Sterimol/B2: 2.51291	Sterimol/B3: 3.35758
Sterimol/B4: 6.80102	Sterimol/L: 14.7335

Surface and Volume Properties
Accessible surface: 482.716	Positive charged surface: 274.612	Negative charged surface: 196.921	Volume: 262.25
Hydrophobic surface: 467.78	Hydrophilic surface: 14.936

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.