MMsINC Database Search


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MMsINC code: MMs02989450

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(NC(C)c1ccccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C17H18N2O2/c1-13(15-10-6-3-7-11-15)19-17(21)16(20)18-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2194 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.79869	SlogP: 2.5421	Reactive groups: 0

Topological Properties
Globularity: 0.0622851	Sterimol/B1: 2.0544	Sterimol/B2: 3.06723	Sterimol/B3: 4.10969
Sterimol/B4: 5.78321	Sterimol/L: 18.068

Surface and Volume Properties
Accessible surface: 564.057	Positive charged surface: 322.909	Negative charged surface: 241.148	Volume: 283.75
Hydrophobic surface: 447.418	Hydrophilic surface: 116.639

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

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Ions/Tautomers related molecules: no related molecules available.