MMsINC Database Search


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MMsINC code: MMs02276842

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(C(=O)c1c2n(C=CC=C2)c(C(O)c2ccccc2)c1-c1ccccc1)C

InChI:

InChI=1/C23H19NO3/c1-27-23(26)20-18-14-8-9-15-24(18)21(19(20)16-10-4-2-5-11-16)22(25)17-12-6-3-7-13-17/h2-15,22,25H,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.903 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -5.27577	SlogP: 4.6164	Reactive groups: 0

Topological Properties
Globularity: 0.209959	Sterimol/B1: 2.56214	Sterimol/B2: 4.96341	Sterimol/B3: 6.23877
Sterimol/B4: 7.90448	Sterimol/L: 13.3377

Surface and Volume Properties
Accessible surface: 589.643	Positive charged surface: 325.876	Negative charged surface: 263.767	Volume: 348.75
Hydrophobic surface: 522.377	Hydrophilic surface: 67.266

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.