MMsINC Database Search


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MMsINC code: MMs02366175

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NC(=O)NC(c1ccccc1)c1ccccc1)CC

InChI:

InChI=1/C17H18N2O2/c1-2-15(20)18-17(21)19-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H2,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4118 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.73657	SlogP: 3.1073	Reactive groups: 0

Topological Properties
Globularity: 0.129538	Sterimol/B1: 3.49253	Sterimol/B2: 4.3807	Sterimol/B3: 4.61182
Sterimol/B4: 6.62238	Sterimol/L: 15.1485

Surface and Volume Properties
Accessible surface: 550.352	Positive charged surface: 325.828	Negative charged surface: 224.524	Volume: 285.25
Hydrophobic surface: 445.123	Hydrophilic surface: 105.229

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.