MMsINC Database Search


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MMsINC code: MMs02317755

Type: Neutral
Formula: C₁₉H₁₇N

SMILES:

n1cc(cc(c1)Cc1ccccc1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0993 kcal/mol

Physical Properties
Molecular Weight: 259.352 g/mol	logS: -3.7326	SlogP: 4.26314	Reactive groups: 0

Topological Properties
Globularity: 0.0886211	Sterimol/B1: 3.0581	Sterimol/B2: 3.33056	Sterimol/B3: 4.74501
Sterimol/B4: 5.30601	Sterimol/L: 15.6106

Surface and Volume Properties
Accessible surface: 518.481	Positive charged surface: 324.601	Negative charged surface: 193.88	Volume: 281.5
Hydrophobic surface: 502.475	Hydrophilic surface: 16.006

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.