MMsINC Database Search


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MMsINC code: MMs02819037

Type: Neutral
Formula: C₁₉H₁₇N

SMILES:

n1ccc(cc1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9951 kcal/mol

Physical Properties
Molecular Weight: 259.352 g/mol	logS: -4.19897	SlogP: 4.26314	Reactive groups: 0

Topological Properties
Globularity: 0.143666	Sterimol/B1: 2.57797	Sterimol/B2: 3.20205	Sterimol/B3: 4.38806
Sterimol/B4: 6.73371	Sterimol/L: 13.6923

Surface and Volume Properties
Accessible surface: 524.388	Positive charged surface: 332.054	Negative charged surface: 192.335	Volume: 280.25
Hydrophobic surface: 521.312	Hydrophilic surface: 3.076

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.