MMsINC Database Search


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MMsINC code: MMs00284492

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NCc1ccccc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C17H18N2O2/c20-16(18-12-11-14-7-3-1-4-8-14)17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1022 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.53295	SlogP: 1.92807	Reactive groups: 0

Topological Properties
Globularity: 0.0494456	Sterimol/B1: 2.32957	Sterimol/B2: 3.61852	Sterimol/B3: 3.62183
Sterimol/B4: 5.26003	Sterimol/L: 19.0246

Surface and Volume Properties
Accessible surface: 576.923	Positive charged surface: 341.132	Negative charged surface: 235.792	Volume: 286.625
Hydrophobic surface: 466.889	Hydrophilic surface: 110.034

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.