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MMsINC code: MMs03070473

Type: Neutral
Formula: C₁₇H₁₅NO₃

SMILES:

O(C)c1ccc(cc1)-c1[nH]c2c(cccc2)c1CC(O)=O

InChI:

InChI=1/C17H15NO3/c1-21-12-8-6-11(7-9-12)17-14(10-16(19)20)13-4-2-3-5-15(13)18-17/h2-9,18H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5504 kcal/mol

Physical Properties
Molecular Weight: 281.311 g/mol	logS: -4.15121	SlogP: 3.47057	Reactive groups: 0

Topological Properties
Globularity: 0.0407115	Sterimol/B1: 2.81723	Sterimol/B2: 3.37471	Sterimol/B3: 4.42203
Sterimol/B4: 5.73052	Sterimol/L: 15.8755

Surface and Volume Properties
Accessible surface: 511.968	Positive charged surface: 315.248	Negative charged surface: 193.561	Volume: 268.375
Hydrophobic surface: 397.588	Hydrophilic surface: 114.38

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03070474
PUBCHEM-ZINC03752834