MMsINC Database Search


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MMsINC code: MMs00927507

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1cc2c(cc1OC)C(=O)N(C=C2C(=O)N1CCCc2c1cccc2)CC

InChI:

InChI=1/C23H24N2O4/c1-4-24-14-18(16-12-20(28-2)21(29-3)13-17(16)22(24)26)23(27)25-11-7-9-15-8-5-6-10-19(15)25/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.936 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -4.53363	SlogP: 3.49977	Reactive groups: 0

Topological Properties
Globularity: 0.146644	Sterimol/B1: 2.557	Sterimol/B2: 4.21516	Sterimol/B3: 4.95773
Sterimol/B4: 11.4018	Sterimol/L: 16.4441

Surface and Volume Properties
Accessible surface: 643.496	Positive charged surface: 453.934	Negative charged surface: 189.562	Volume: 377.375
Hydrophobic surface: 555.279	Hydrophilic surface: 88.217

Pharmacophoric Properties
Hydrogen bond donors: 0	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.