MMsINC Database Search


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MMsINC code: MMs01459582

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccccc1C(OC(C(=O)Nc1cc(ccc1C)C)c1ccccc1)=O

InChI:

InChI=1/C24H23NO4/c1-16-13-14-17(2)20(15-16)25-23(26)22(18-9-5-4-6-10-18)29-24(27)19-11-7-8-12-21(19)28-3/h4-15,22H,1-3H3,(H,25,26)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.524 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.21571	SlogP: 4.94434	Reactive groups: 0

Topological Properties
Globularity: 0.0991094	Sterimol/B1: 1.969	Sterimol/B2: 4.63329	Sterimol/B3: 4.67503
Sterimol/B4: 10.8489	Sterimol/L: 16.8163

Surface and Volume Properties
Accessible surface: 687.437	Positive charged surface: 428.531	Negative charged surface: 258.906	Volume: 383.75
Hydrophobic surface: 636.356	Hydrophilic surface: 51.081

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.