MMsINC Database Search


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MMsINC code: MMs00246658

Type: Neutral
Formula: C₂₄H₂₃N₃O₄

SMILES:

O1CC(=O)N(c2c1cccc2)CC(=O)N(Cc1ccc(OC)cc1)Cc1ncccc1

InChI:

InChI=1/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.189 kcal/mol

Physical Properties
Molecular Weight: 417.465 g/mol	logS: -4.22774	SlogP: 3.5774	Reactive groups: 0

Topological Properties
Globularity: 0.132684	Sterimol/B1: 3.65921	Sterimol/B2: 4.3913	Sterimol/B3: 5.12555
Sterimol/B4: 10.3736	Sterimol/L: 15.7509

Surface and Volume Properties
Accessible surface: 681.227	Positive charged surface: 454.575	Negative charged surface: 226.651	Volume: 398.375
Hydrophobic surface: 591.27	Hydrophilic surface: 89.957

Pharmacophoric Properties
Hydrogen bond donors: 0	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.