MMsINC Database Search


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MMsINC code: MMs02880953

Type: Neutral
Formula: C₁₉H₂₁N

SMILES:

n1(cc(c2c1cccc2)-c1cc(cc(c1)C)C)C(C)C

InChI:

InChI=1/C19H21N/c1-13(2)20-12-18(17-7-5-6-8-19(17)20)16-10-14(3)9-15(4)11-16/h5-13H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3193 kcal/mol

Physical Properties
Molecular Weight: 263.384 g/mol	logS: -5.59743	SlogP: 5.60154	Reactive groups: 0

Topological Properties
Globularity: 0.122795	Sterimol/B1: 2.51912	Sterimol/B2: 4.37316	Sterimol/B3: 5.26325
Sterimol/B4: 6.48358	Sterimol/L: 12.9009

Surface and Volume Properties
Accessible surface: 539.43	Positive charged surface: 331.191	Negative charged surface: 203.34	Volume: 291.5
Hydrophobic surface: 493.557	Hydrophilic surface: 45.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.