MMsINC Database Search


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MMsINC code: MMs00897355

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O=C1N(CCCCCC(=O)NC2CC2)C(=O)Nc2c1ccc(c2)C(OC)=O

InChI:

InChI=1/C19H23N3O5/c1-27-18(25)12-6-9-14-15(11-12)21-19(26)22(17(14)24)10-4-2-3-5-16(23)20-13-7-8-13/h6,9,11,13H,2-5,7-8,10H2,1H3,(H,20,23)(H,21,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9649 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.42582	SlogP: 2.2999	Reactive groups: 0

Topological Properties
Globularity: 0.0317301	Sterimol/B1: 2.51035	Sterimol/B2: 2.89404	Sterimol/B3: 4.36661
Sterimol/B4: 6.30993	Sterimol/L: 23.0428

Surface and Volume Properties
Accessible surface: 675.945	Positive charged surface: 469.652	Negative charged surface: 206.293	Volume: 352.25
Hydrophobic surface: 454.604	Hydrophilic surface: 221.341

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.