MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00446260

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7275 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.71576	SlogP: 2.27577	Reactive groups: 0

Topological Properties
Globularity: 0.0684353	Sterimol/B1: 2.53773	Sterimol/B2: 3.36091	Sterimol/B3: 3.60028
Sterimol/B4: 9.29035	Sterimol/L: 14.6532

Surface and Volume Properties
Accessible surface: 575.468	Positive charged surface: 326.782	Negative charged surface: 248.686	Volume: 290.5
Hydrophobic surface: 431.257	Hydrophilic surface: 144.211

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.