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MMsINC code: MMs03820108

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

OC(=O)C(NC(=O)Nc1ccc(cc1)C(=O)C)Cc1ccccc1

InChI:

InChI=1/C18H18N2O4/c1-12(21)14-7-9-15(10-8-14)19-18(24)20-16(17(22)23)11-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,22,23)(H2,19,20,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8798 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.56567	SlogP: 2.70657	Reactive groups: 0

Topological Properties
Globularity: 0.0890679	Sterimol/B1: 3.73416	Sterimol/B2: 3.89557	Sterimol/B3: 5.3579
Sterimol/B4: 6.37855	Sterimol/L: 16.0672

Surface and Volume Properties
Accessible surface: 593.347	Positive charged surface: 332.042	Negative charged surface: 261.305	Volume: 307.25
Hydrophobic surface: 417.714	Hydrophilic surface: 175.633

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

MMs03820109
PUBCHEM-ZINC06614928