MMsINC Database Search


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MMsINC code: MMs02798733

Type: Neutral
Formula: C₂₁H₁₉N₃O₄

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccc(nc1)NC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C21H19N3O4/c1-27-17-7-3-5-14(11-17)20(25)23-16-9-10-19(22-13-16)24-21(26)15-6-4-8-18(12-15)28-2/h3-13H,1-2H3,(H,23,25)(H,22,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.487 kcal/mol

Physical Properties
Molecular Weight: 377.4 g/mol	logS: -4.47874	SlogP: 3.6034	Reactive groups: 0

Topological Properties
Globularity: 0.0118334	Sterimol/B1: 2.09757	Sterimol/B2: 3.46775	Sterimol/B3: 3.91142
Sterimol/B4: 4.95653	Sterimol/L: 23.3729

Surface and Volume Properties
Accessible surface: 669.067	Positive charged surface: 446.611	Negative charged surface: 222.456	Volume: 351.375
Hydrophobic surface: 553.528	Hydrophilic surface: 115.539

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.