MMsINC Database Search


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MMsINC code: MMs00830967

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

n1c2c(cc(cc2)C)c(Nc2cc(C)c(cc2)C)cc1C

InChI:

InChI=1/C19H20N2/c1-12-5-8-18-17(9-12)19(11-15(4)20-18)21-16-7-6-13(2)14(3)10-16/h5-11H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.275 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -5.32889	SlogP: 5.21208	Reactive groups: 0

Topological Properties
Globularity: 0.0449115	Sterimol/B1: 2.08883	Sterimol/B2: 2.89032	Sterimol/B3: 3.8097
Sterimol/B4: 8.96235	Sterimol/L: 15.1383

Surface and Volume Properties
Accessible surface: 549.13	Positive charged surface: 334.205	Negative charged surface: 209.751	Volume: 294.625
Hydrophobic surface: 520.589	Hydrophilic surface: 28.541

Pharmacophoric Properties
Hydrogen bond donors: 1	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.