MMsINC Database Search


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MMsINC code: MMs02209593

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C(=O)c1ccc(cc1)-c1ncc(cc1)CCC)c1ccc(cc1)C(OCC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.838 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.53583	SlogP: 5.09697	Reactive groups: 0

Topological Properties
Globularity: 0.0193874	Sterimol/B1: 3.08819	Sterimol/B2: 3.49049	Sterimol/B3: 3.74742
Sterimol/B4: 3.86278	Sterimol/L: 25.7868

Surface and Volume Properties
Accessible surface: 722.745	Positive charged surface: 452.967	Negative charged surface: 264.882	Volume: 386
Hydrophobic surface: 593.939	Hydrophilic surface: 128.806

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.