MMsINC Database Search


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MMsINC code: MMs03403547

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(C(=O)NC\C(=N\OCC)\c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H18N2O3/c1-2-21-19-16(14-9-5-3-6-10-14)13-18-17(20)22-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,20)/b19-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0478 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -4.22627	SlogP: 3.2158	Reactive groups: 0

Topological Properties
Globularity: 0.0459033	Sterimol/B1: 2.57338	Sterimol/B2: 3.0779	Sterimol/B3: 4.03934
Sterimol/B4: 9.17787	Sterimol/L: 16.9238

Surface and Volume Properties
Accessible surface: 590.139	Positive charged surface: 366.731	Negative charged surface: 223.407	Volume: 297.5
Hydrophobic surface: 493.07	Hydrophilic surface: 97.069

Pharmacophoric Properties
Hydrogen bond donors: 1	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.