MMsINC Database Search


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MMsINC code: MMs03232338

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c(cc(cc1C(C)(C)C)-c1ccccc1)-c1ncccc1

InChI:

InChI=1/C20H20N2/c1-20(2,3)19-14-16(15-9-5-4-6-10-15)13-18(22-19)17-11-7-8-12-21-17/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5155 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -4.57766	SlogP: 5.1081	Reactive groups: 0

Topological Properties
Globularity: 0.0504416	Sterimol/B1: 2.21146	Sterimol/B2: 2.65938	Sterimol/B3: 4.89189
Sterimol/B4: 9.72615	Sterimol/L: 14.8602

Surface and Volume Properties
Accessible surface: 548.022	Positive charged surface: 328.754	Negative charged surface: 208.119	Volume: 308.375
Hydrophobic surface: 476.063	Hydrophilic surface: 71.959

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.