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MMsINC code: MMs02116243

Type: Neutral
Formula: C₁₇H₁₅NO₄

SMILES:

Oc1cc(ccc1)C(N1Cc2c(cccc2)C1=O)CC(O)=O

InChI:

InChI=1/C17H15NO4/c19-13-6-3-5-11(8-13)15(9-16(20)21)18-10-12-4-1-2-7-14(12)17(18)22/h1-8,15,19H,9-10H2,(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2555 kcal/mol

Physical Properties
Molecular Weight: 297.31 g/mol	logS: -2.83113	SlogP: 2.9259	Reactive groups: 0

Topological Properties
Globularity: 0.193922	Sterimol/B1: 2.77509	Sterimol/B2: 3.22097	Sterimol/B3: 4.7429
Sterimol/B4: 7.85646	Sterimol/L: 14.1035

Surface and Volume Properties
Accessible surface: 515.935	Positive charged surface: 290.905	Negative charged surface: 225.03	Volume: 273.875
Hydrophobic surface: 344.955	Hydrophilic surface: 170.98

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

MMs02116244
KEYORGANICS-ZINC04014632