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MMsINC code: MMs02239702

Type: Neutral
Formula: C₂₄H₂₇NO₄

SMILES:

O1c2c(cc(cc2CC(OCCN(CC)CC)=O)C)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C24H27NO4/c1-4-25(5-2)11-12-28-23(27)15-19-13-17(3)14-20-21(26)16-22(29-24(19)20)18-9-7-6-8-10-18/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1931 kcal/mol

Physical Properties
Molecular Weight: 393.483 g/mol	logS: -6.01792	SlogP: 4.03869	Reactive groups: 1

Topological Properties
Globularity: 0.0692403	Sterimol/B1: 3.14324	Sterimol/B2: 4.16569	Sterimol/B3: 6.28105
Sterimol/B4: 8.08123	Sterimol/L: 15.2846

Surface and Volume Properties
Accessible surface: 675.781	Positive charged surface: 437.611	Negative charged surface: 238.17	Volume: 396.625
Hydrophobic surface: 569.905	Hydrophilic surface: 105.876

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02239703
NCID-ZINC01582684