MMsINC Database Search


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MMsINC code: MMs00255180

Type: Neutral
Formula: C₂₂H₁₉N

SMILES:

n1c2c(c3c(cc2)cccc3)c(cc1-c1ccc(cc1)CC)C

InChI:

InChI=1/C22H19N/c1-3-16-8-10-18(11-9-16)21-14-15(2)22-19-7-5-4-6-17(19)12-13-20(22)23-21/h4-14H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.521 kcal/mol

Physical Properties
Molecular Weight: 297.401 g/mol	logS: -7.70954	SlogP: 5.92579	Reactive groups: 0

Topological Properties
Globularity: 0.0221874	Sterimol/B1: 2.07645	Sterimol/B2: 3.81815	Sterimol/B3: 4.75755
Sterimol/B4: 4.76888	Sterimol/L: 18.3585

Surface and Volume Properties
Accessible surface: 563.16	Positive charged surface: 311.89	Negative charged surface: 231.192	Volume: 313.875
Hydrophobic surface: 520.395	Hydrophilic surface: 42.765

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.