MMsINC Database Search


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MMsINC code: MMs02098438

Type: Neutral
Formula: C₁₄H₁₈N₂O₂

SMILES:

O=C1N(CC1(C)C)C(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C14H18N2O2/c1-14(2)9-16(13(14)18)11(12(15)17)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9993 kcal/mol

Physical Properties
Molecular Weight: 246.31 g/mol	logS: -2.19935	SlogP: 0.95137	Reactive groups: 0

Topological Properties
Globularity: 0.149931	Sterimol/B1: 2.54406	Sterimol/B2: 3.33609	Sterimol/B3: 3.88294
Sterimol/B4: 8.5084	Sterimol/L: 11.9739

Surface and Volume Properties
Accessible surface: 457.862	Positive charged surface: 261.213	Negative charged surface: 173.084	Volume: 248.25
Hydrophobic surface: 297.576	Hydrophilic surface: 160.286

Pharmacophoric Properties
Hydrogen bond donors: 1	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.