MMsINC Database Search


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MMsINC code: MMs02344135

Type: Neutral
Formula: C₂₇H₂₄N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

InChI:

InChI=1/C27H24N2O3/c30-27(28-23-11-15-25(16-12-23)31-19-21-7-3-1-4-8-21)29-24-13-17-26(18-14-24)32-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H2,28,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.095 kcal/mol

Physical Properties
Molecular Weight: 424.5 g/mol	logS: -6.88861	SlogP: 7.0214	Reactive groups: 0

Topological Properties
Globularity: 0.0212344	Sterimol/B1: 2.48128	Sterimol/B2: 3.41043	Sterimol/B3: 3.69113
Sterimol/B4: 8.03498	Sterimol/L: 25.2238

Surface and Volume Properties
Accessible surface: 784.353	Positive charged surface: 453.835	Negative charged surface: 330.518	Volume: 420.5
Hydrophobic surface: 708.334	Hydrophilic surface: 76.019

Pharmacophoric Properties
Hydrogen bond donors: 2	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.