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MMsINC code: MMs03229124

Type: Neutral
Formula: C₁₇H₁₇NO₃

SMILES:

OC(=O)C(NC(=O)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C17H17NO3/c19-16(12-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0769 kcal/mol

Physical Properties
Molecular Weight: 283.327 g/mol	logS: -3.41769	SlogP: 2.04114	Reactive groups: 0

Topological Properties
Globularity: 0.109296	Sterimol/B1: 2.54025	Sterimol/B2: 3.47698	Sterimol/B3: 3.66691
Sterimol/B4: 8.9705	Sterimol/L: 13.8473

Surface and Volume Properties
Accessible surface: 541.179	Positive charged surface: 307.729	Negative charged surface: 233.45	Volume: 280.5
Hydrophobic surface: 429.224	Hydrophilic surface: 111.955

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

MMs03229125
PUBCHEM-ZINC05273598