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MMsINC code: MMs02846380

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

Oc1cc-2c(cc1CN(C)C)C(=O)c1c-2cccc1

InChI:

InChI=1/C16H15NO2/c1-17(2)9-10-7-14-13(8-15(10)18)11-5-3-4-6-12(11)16(14)19/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7581 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.74807	SlogP: 2.9316	Reactive groups: 0

Topological Properties
Globularity: 0.0456263	Sterimol/B1: 2.42107	Sterimol/B2: 3.40041	Sterimol/B3: 4.12961
Sterimol/B4: 5.49996	Sterimol/L: 14.9864

Surface and Volume Properties
Accessible surface: 477.322	Positive charged surface: 321.225	Negative charged surface: 144.984	Volume: 250.875
Hydrophobic surface: 384.461	Hydrophilic surface: 92.861

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02846381
PUBCHEM-ZINC02006252