MMsINC Database Search


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MMsINC code: MMs01530978

Type: Neutral
Formula: C₂₀H₁₉N₃O₂

SMILES:

O(C)c1ccccc1NC(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C20H19N3O2/c1-25-18-12-6-5-11-17(18)22-20(24)23(19-13-7-8-14-21-19)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.332 kcal/mol

Physical Properties
Molecular Weight: 333.391 g/mol	logS: -4.01746	SlogP: 4.5953	Reactive groups: 0

Topological Properties
Globularity: 0.157981	Sterimol/B1: 2.37138	Sterimol/B2: 5.18957	Sterimol/B3: 5.71467
Sterimol/B4: 6.82324	Sterimol/L: 14.0567

Surface and Volume Properties
Accessible surface: 600.599	Positive charged surface: 395.636	Negative charged surface: 204.963	Volume: 329.875
Hydrophobic surface: 570.237	Hydrophilic surface: 30.362

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.