MMsINC Database Search


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MMsINC code: MMs02763632

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1ccc(OC)cc1-c1nc2c(cccc2)c(c1)C(=O)NC1CCCC1

InChI:

InChI=1/C23H24N2O3/c1-27-16-11-12-22(28-2)19(13-16)21-14-18(17-9-5-6-10-20(17)25-21)23(26)24-15-7-3-4-8-15/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.166 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.57141	SlogP: 4.5914	Reactive groups: 0

Topological Properties
Globularity: 0.0354077	Sterimol/B1: 2.4622	Sterimol/B2: 3.33734	Sterimol/B3: 3.68167
Sterimol/B4: 12.9283	Sterimol/L: 15.3969

Surface and Volume Properties
Accessible surface: 661.36	Positive charged surface: 461.735	Negative charged surface: 188.283	Volume: 370.375
Hydrophobic surface: 606.842	Hydrophilic surface: 54.518

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.