MMsINC Database Search


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MMsINC code: MMs02389234

Type: Neutral
Formula: C₁₉H₂₃N₃

SMILES:

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

InChI:

InChI=1/C19H23N3/c1-12-7-14-9-15-8-13(2)19(22(5)6)11-17(15)20-16(14)10-18(12)21(3)4/h7-11H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.179 kcal/mol

Physical Properties
Molecular Weight: 293.414 g/mol	logS: -3.99586	SlogP: 4.13684	Reactive groups: 0

Topological Properties
Globularity: 0.0507197	Sterimol/B1: 2.64051	Sterimol/B2: 3.56229	Sterimol/B3: 3.61035
Sterimol/B4: 5.87861	Sterimol/L: 14.7135

Surface and Volume Properties
Accessible surface: 565.777	Positive charged surface: 434.829	Negative charged surface: 120.046	Volume: 313.25
Hydrophobic surface: 538.606	Hydrophilic surface: 27.171

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.