MMsINC Database Search


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MMsINC code: MMs03475702

Type: Neutral
Formula: C₂₃H₂₃N₃O₄

SMILES:

O(CC)c1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccc(OCC)cc2)cc1

InChI:

InChI=1/C23H23N3O4/c1-3-29-19-10-6-17(7-11-19)25-22(27)16-5-14-21(24-15-16)23(28)26-18-8-12-20(13-9-18)30-4-2/h5-15H,3-4H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.679 kcal/mol

Physical Properties
Molecular Weight: 405.454 g/mol	logS: -4.97482	SlogP: 4.3836	Reactive groups: 0

Topological Properties
Globularity: 0.00682056	Sterimol/B1: 2.47189	Sterimol/B2: 3.42453	Sterimol/B3: 3.71648
Sterimol/B4: 4.57622	Sterimol/L: 26.3838

Surface and Volume Properties
Accessible surface: 738.467	Positive charged surface: 482.194	Negative charged surface: 256.273	Volume: 389
Hydrophobic surface: 580.213	Hydrophilic surface: 158.254

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.