MMsINC Database Search


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MMsINC code: MMs02684676

Type: Neutral
Formula: C₁₁H₁₅NO₂

SMILES:

O=C(C(NO)(C)C)c1ccc(cc1)C

InChI:

InChI=1/C11H15NO2/c1-8-4-6-9(7-5-8)10(13)11(2,3)12-14/h4-7,12,14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5602 kcal/mol

Physical Properties
Molecular Weight: 193.246 g/mol	logS: -2.31288	SlogP: 1.93512	Reactive groups: 0

Topological Properties
Globularity: 0.0979622	Sterimol/B1: 3.04146	Sterimol/B2: 3.53872	Sterimol/B3: 3.61943
Sterimol/B4: 4.74015	Sterimol/L: 12.2941

Surface and Volume Properties
Accessible surface: 407.938	Positive charged surface: 253.438	Negative charged surface: 154.501	Volume: 200.875
Hydrophobic surface: 283.322	Hydrophilic surface: 124.616

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