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MMsINC code: MMs02248614

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)CC(N)C(=O)NCc1ccccc1

InChI:

InChI=1/C17H20N2O2/c1-21-15-9-7-13(8-10-15)11-16(18)17(20)19-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0685 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.10212	SlogP: 2.14777	Reactive groups: 0

Topological Properties
Globularity: 0.0498828	Sterimol/B1: 3.37402	Sterimol/B2: 3.49211	Sterimol/B3: 3.90108
Sterimol/B4: 5.58932	Sterimol/L: 17.852

Surface and Volume Properties
Accessible surface: 570.53	Positive charged surface: 379.875	Negative charged surface: 190.655	Volume: 291.625
Hydrophobic surface: 469.821	Hydrophilic surface: 100.709

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02248615
NCID-ZINC01594230