MMsINC Database Search


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MMsINC code: MMs00591819

Type: Neutral
Formula: C₁₇H₁₇NO₂

SMILES:

O=C(CNC(=O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C17H17NO2/c1-12-3-7-14(8-4-12)16(19)11-18-17(20)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1114 kcal/mol

Physical Properties
Molecular Weight: 267.328 g/mol	logS: -4.5781	SlogP: 2.91614	Reactive groups: 0

Topological Properties
Globularity: 0.0053837	Sterimol/B1: 2.37638	Sterimol/B2: 2.51223	Sterimol/B3: 3.94229
Sterimol/B4: 4.13841	Sterimol/L: 18.5597

Surface and Volume Properties
Accessible surface: 540.736	Positive charged surface: 303.708	Negative charged surface: 237.028	Volume: 273.375
Hydrophobic surface: 459.641	Hydrophilic surface: 81.095

Pharmacophoric Properties
Hydrogen bond donors: 1	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.