MMsINC Database Search


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MMsINC code: MMs00891704

Type: Neutral
Formula: C₂₃H₂₅N₃O₃

SMILES:

O(C)c1cc(OC)ccc1NC(=O)N(Cc1ccc(cc1)C)Cc1cccnc1

InChI:

InChI=1/C23H25N3O3/c1-17-6-8-18(9-7-17)15-26(16-19-5-4-12-24-14-19)23(27)25-21-11-10-20(28-2)13-22(21)29-3/h4-14H,15-16H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0711 kcal/mol

Physical Properties
Molecular Weight: 391.471 g/mol	logS: -4.17454	SlogP: 5.17432	Reactive groups: 0

Topological Properties
Globularity: 0.17724	Sterimol/B1: 2.40393	Sterimol/B2: 4.70181	Sterimol/B3: 5.15036
Sterimol/B4: 11.5802	Sterimol/L: 16.6534

Surface and Volume Properties
Accessible surface: 688.929	Positive charged surface: 490.875	Negative charged surface: 198.054	Volume: 388.375
Hydrophobic surface: 628.696	Hydrophilic surface: 60.233

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.