MMsINC Database Search


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MMsINC code: MMs02615631

Type: Neutral
Formula: C₁₉H₂₃N₃O₆

SMILES:

O(c1ccccc1C(=O)NC(OC(=O)CC)CC)c1nc(OC)cc(OC)n1

InChI:

InChI=1/C19H23N3O6/c1-5-14(28-17(23)6-2)20-18(24)12-9-7-8-10-13(12)27-19-21-15(25-3)11-16(22-19)26-4/h7-11,14H,5-6H2,1-4H3,(H,20,24)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5081 kcal/mol

Physical Properties
Molecular Weight: 389.408 g/mol	logS: -4.56861	SlogP: 2.7052	Reactive groups: 1

Topological Properties
Globularity: 0.351723	Sterimol/B1: 3.86407	Sterimol/B2: 4.65006	Sterimol/B3: 6.47251
Sterimol/B4: 7.81177	Sterimol/L: 13.3863

Surface and Volume Properties
Accessible surface: 630.084	Positive charged surface: 463.1	Negative charged surface: 166.984	Volume: 362.625
Hydrophobic surface: 520.241	Hydrophilic surface: 109.843

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.