MMsINC Database Search


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MMsINC code: MMs00189059

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

OC1=C(C(=O)c2ccccc2)C(N(C1=O)c1ccc(O)cc1)c1ccc(cc1)C

InChI:

InChI=1/C24H19NO4/c1-15-7-9-16(10-8-15)21-20(22(27)17-5-3-2-4-6-17)23(28)24(29)25(21)18-11-13-19(26)14-12-18/h2-14,21,26,28H,1H3/t21-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.107 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -5.79843	SlogP: 4.57902	Reactive groups: 1

Topological Properties
Globularity: 0.244033	Sterimol/B1: 2.06698	Sterimol/B2: 4.30973	Sterimol/B3: 5.00015
Sterimol/B4: 9.5402	Sterimol/L: 15.7691

Surface and Volume Properties
Accessible surface: 636.568	Positive charged surface: 347.323	Negative charged surface: 289.246	Volume: 366.375
Hydrophobic surface: 483.322	Hydrophilic surface: 153.246

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00189060
ASINEX-ZINC00843856