MMsINC Database Search


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MMsINC code: MMs01578676

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C24H23NO4/c1-2-28-24(27)20-13-15-21(16-14-20)29-17-22(26)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,2,17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5706 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.85257	SlogP: 4.2434	Reactive groups: 0

Topological Properties
Globularity: 0.0651073	Sterimol/B1: 3.64739	Sterimol/B2: 4.19474	Sterimol/B3: 5.14065
Sterimol/B4: 7.0304	Sterimol/L: 19.8812

Surface and Volume Properties
Accessible surface: 716.035	Positive charged surface: 422.73	Negative charged surface: 293.305	Volume: 387.875
Hydrophobic surface: 611.789	Hydrophilic surface: 104.246

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.