MMsINC Database Search


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MMsINC code: MMs01154368

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(-n2nc(cc2OC(=O)c2ccc(cc2)C)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O3/c1-17-8-10-19(11-9-17)24(27)29-23-16-22(18-6-4-3-5-7-18)25-26(23)20-12-14-21(28-2)15-13-20/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.898 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.88359	SlogP: 5.07552	Reactive groups: 0

Topological Properties
Globularity: 0.0209205	Sterimol/B1: 2.93738	Sterimol/B2: 3.07883	Sterimol/B3: 3.20369
Sterimol/B4: 11.7434	Sterimol/L: 17.8146

Surface and Volume Properties
Accessible surface: 681.322	Positive charged surface: 394.149	Negative charged surface: 287.173	Volume: 375.375
Hydrophobic surface: 626.95	Hydrophilic surface: 54.372

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.