MMsINC Database Search


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MMsINC code: MMs01488142

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O(C(C(=O)c1c2c([nH]c1)cccc2)c1ccccc1)C(=O)c1ccc(cc1)CO

InChI:

InChI=1/C24H19NO4/c26-15-16-10-12-18(13-11-16)24(28)29-23(17-6-2-1-3-7-17)22(27)20-14-25-21-9-5-4-8-19(20)21/h1-14,23,25-26H,15H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.148 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -5.69468	SlogP: 4.8031	Reactive groups: 0

Topological Properties
Globularity: 0.0866276	Sterimol/B1: 2.46244	Sterimol/B2: 3.0999	Sterimol/B3: 5.28948
Sterimol/B4: 9.5586	Sterimol/L: 18.9555

Surface and Volume Properties
Accessible surface: 667.778	Positive charged surface: 359.325	Negative charged surface: 302.918	Volume: 366.5
Hydrophobic surface: 511.396	Hydrophilic surface: 156.382

Pharmacophoric Properties
Hydrogen bond donors: 2	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.