MMsINC Database Search


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MMsINC code: MMs03210432

Type: Neutral
Formula: C₁₉H₂₃N₃

SMILES:

n1c2cc(N)c(cc2cc2cc(C(C)C)c(N)cc12)C(C)C

InChI:

InChI=1/C19H23N3/c1-10(2)14-6-12-5-13-7-15(11(3)4)17(21)9-19(13)22-18(12)8-16(14)20/h5-11H,20-21H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.248 kcal/mol

Physical Properties
Molecular Weight: 293.414 g/mol	logS: -5.64368	SlogP: 4.7992	Reactive groups: 0

Topological Properties
Globularity: 0.0469414	Sterimol/B1: 2.31754	Sterimol/B2: 2.44971	Sterimol/B3: 4.9092
Sterimol/B4: 6.13379	Sterimol/L: 15.0597

Surface and Volume Properties
Accessible surface: 556.068	Positive charged surface: 372.417	Negative charged surface: 173.36	Volume: 307.875
Hydrophobic surface: 350.28	Hydrophilic surface: 205.788

Pharmacophoric Properties
Hydrogen bond donors: 2	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.