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MMsINC code: MMs01764467

Type: Neutral
Formula: C₂₄H₃₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)c1n(c2c(cccc2)c1C)CC(O)CN(CC)CC

InChI:

InChI=1/C24H30N2O3/c1-5-25(6-2)15-19(27)16-26-22-10-8-7-9-21(22)17(3)23(26)24(28)18-11-13-20(29-4)14-12-18/h7-14,19,27H,5-6,15-16H2,1-4H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.888 kcal/mol

Physical Properties
Molecular Weight: 394.515 g/mol	logS: -4.35514	SlogP: 4.15842	Reactive groups: 0

Topological Properties
Globularity: 0.195115	Sterimol/B1: 2.50431	Sterimol/B2: 3.99375	Sterimol/B3: 6.3362
Sterimol/B4: 9.51482	Sterimol/L: 15.8865

Surface and Volume Properties
Accessible surface: 700.218	Positive charged surface: 464.663	Negative charged surface: 229.86	Volume: 407.5
Hydrophobic surface: 604.242	Hydrophilic surface: 95.976

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01764468
IBS-ZINC01253489