MMsINC Database Search


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MMsINC code: MMs00958166

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1c2c(c3n(c(C)c(c3c1)C(OCC)=O)-c1ccc(OC)cc1)cccc2

InChI:

InChI=1/C24H23NO4/c1-5-29-24(26)22-15(2)25(16-10-12-17(27-3)13-11-16)23-19-9-7-6-8-18(19)21(28-4)14-20(22)23/h6-14H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.694 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.39362	SlogP: 5.28602	Reactive groups: 0

Topological Properties
Globularity: 0.0569895	Sterimol/B1: 2.21209	Sterimol/B2: 2.55967	Sterimol/B3: 4.8207
Sterimol/B4: 9.72158	Sterimol/L: 17.4993

Surface and Volume Properties
Accessible surface: 671.026	Positive charged surface: 449.281	Negative charged surface: 206.747	Volume: 380.875
Hydrophobic surface: 597.605	Hydrophilic surface: 73.421

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.