MMsINC Database Search


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MMsINC code: MMs00063540

Type: Neutral
Formula: C₁₈H₁₅NO₄

SMILES:

OC1(c2c(NC1=O)cccc2)/C(=C(/O)\c1ccccc1)/C(=O)C

InChI:

InChI=1/C18H15NO4/c1-11(20)15(16(21)12-7-3-2-4-8-12)18(23)13-9-5-6-10-14(13)19-17(18)22/h2-10,21,23H,1H3,(H,19,22)/b16-15-/t18-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1262 kcal/mol

Physical Properties
Molecular Weight: 309.321 g/mol	logS: -3.80293	SlogP: 2.6961	Reactive groups: 1

Topological Properties
Globularity: 0.159237	Sterimol/B1: 2.56009	Sterimol/B2: 3.03365	Sterimol/B3: 5.35312
Sterimol/B4: 6.06014	Sterimol/L: 13.9662

Surface and Volume Properties
Accessible surface: 500.077	Positive charged surface: 275.576	Negative charged surface: 224.501	Volume: 284.125
Hydrophobic surface: 350.393	Hydrophilic surface: 149.684

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00063542 ASINEX-ZINC00044233	MMs00063543 ASINEX-ZINC00044233	MMs00063541 ASINEX-ZINC00044233
MMs00063544 ASINEX-ZINC00044233