MMsINC Database Search


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MMsINC code: MMs00651363

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O(Cc1ccc(cc1)C(OCc1ncccc1)=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H19NO3/c26-24(28-17-21-8-3-4-15-25-21)20-13-11-18(12-14-20)16-27-23-10-5-7-19-6-1-2-9-22(19)23/h1-15H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.119 kcal/mol

Physical Properties
Molecular Weight: 369.42 g/mol	logS: -6.12545	SlogP: 5.7036	Reactive groups: 0

Topological Properties
Globularity: 0.0607674	Sterimol/B1: 2.2588	Sterimol/B2: 2.812	Sterimol/B3: 5.17212
Sterimol/B4: 6.88437	Sterimol/L: 20.7514

Surface and Volume Properties
Accessible surface: 680.653	Positive charged surface: 384.864	Negative charged surface: 284.718	Volume: 362.125
Hydrophobic surface: 617.096	Hydrophilic surface: 63.557

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.