MMsINC Database Search


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MMsINC code: MMs02676299

Type: Neutral
Formula: C₁₆H₂₅NO₂

SMILES:

Oc1ccc(cc1NC(=O)C)C(CC(C)(C)C)(C)C

InChI:

InChI=1/C16H25NO2/c1-11(18)17-13-9-12(7-8-14(13)19)16(5,6)10-15(2,3)4/h7-9,19H,10H2,1-6H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.902 kcal/mol

Physical Properties
Molecular Weight: 263.381 g/mol	logS: -5.31284	SlogP: 4.0644	Reactive groups: 0

Topological Properties
Globularity: 0.0898818	Sterimol/B1: 2.49088	Sterimol/B2: 3.574	Sterimol/B3: 3.59931
Sterimol/B4: 7.1236	Sterimol/L: 14.6803

Surface and Volume Properties
Accessible surface: 503.376	Positive charged surface: 333.827	Negative charged surface: 169.55	Volume: 275.5
Hydrophobic surface: 338.34	Hydrophilic surface: 165.036

Pharmacophoric Properties
Hydrogen bond donors: 2	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.