MMsINC Database Search


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MMsINC code: MMs01693075

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)NC(C)C)Cc1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-11(2)16-15(19)13-8-14(18)17(10-13)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5004 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.03925	SlogP: 1.8261	Reactive groups: 0

Topological Properties
Globularity: 0.10703	Sterimol/B1: 2.38801	Sterimol/B2: 4.43051	Sterimol/B3: 4.70104
Sterimol/B4: 5.30389	Sterimol/L: 14.5304

Surface and Volume Properties
Accessible surface: 514.791	Positive charged surface: 342.152	Negative charged surface: 172.639	Volume: 266.875
Hydrophobic surface: 394.661	Hydrophilic surface: 120.13

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.