MMsINC Database Search


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MMsINC code: MMs02358079

Type: Neutral
Formula: C₂₁H₁₉N₃O₂

SMILES:

O=C(N(C(=O)Nc1ccccc1)c1ccccc1)N(C)c1ccccc1

InChI:

InChI=1/C21H19N3O2/c1-23(18-13-7-3-8-14-18)21(26)24(19-15-9-4-10-16-19)20(25)22-17-11-5-2-6-12-17/h2-16H,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=206.51 kcal/mol

Physical Properties
Molecular Weight: 345.402 g/mol	logS: -5.09246	SlogP: 4.9815	Reactive groups: 0

Topological Properties
Globularity: 0.0584842	Sterimol/B1: 3.38428	Sterimol/B2: 3.79304	Sterimol/B3: 5.36658
Sterimol/B4: 6.81647	Sterimol/L: 16.8246

Surface and Volume Properties
Accessible surface: 588.735	Positive charged surface: 338.235	Negative charged surface: 250.501	Volume: 333
Hydrophobic surface: 545.953	Hydrophilic surface: 42.782

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.