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MMsINC code: MMs00864096

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

OC1=C(C(=O)c2ccc(cc2)C)C(N(C1=O)c1ccc(O)cc1)c1ccccc1

InChI:

InChI=1/C24H19NO4/c1-15-7-9-17(10-8-15)22(27)20-21(16-5-3-2-4-6-16)25(24(29)23(20)28)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)=109.908 kcal/mol

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

Topological Properties
Globularity: 0.218989	Sterimol/B1: 2.54316	Sterimol/B2: 2.79604	Sterimol/B3: 7.37735
Sterimol/B4: 7.98107	Sterimol/L: 16.4664

Surface and Volume Properties
Accessible surface: 636.94	Positive charged surface: 350.07	Negative charged surface: 286.87	Volume: 364
Hydrophobic surface: 481.269	Hydrophilic surface: 155.671

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

MMs00864097
CHEMDIV-ZINC01201590