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MMsINC code: MMs03039479

Type: Neutral
Formula: C₁₇H₁₇NO₂

SMILES:

OC(=O)C(N)(C1CC1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C17H17NO2/c18-17(16(19)20,15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,20)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.952 kcal/mol

Physical Properties
Molecular Weight: 267.328 g/mol	logS: -4.10073	SlogP: 3.3137	Reactive groups: 0

Topological Properties
Globularity: 0.0898734	Sterimol/B1: 3.38849	Sterimol/B2: 4.05847	Sterimol/B3: 4.32463
Sterimol/B4: 4.37056	Sterimol/L: 15.1296

Surface and Volume Properties
Accessible surface: 493.291	Positive charged surface: 266.077	Negative charged surface: 216.142	Volume: 266.5
Hydrophobic surface: 347.186	Hydrophilic surface: 146.105

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03039480
PUBCHEM-ZINC03677477