MMsINC Database Search


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MMsINC code: MMs00141708

Type: Neutral
Formula: C₁₅H₁₇NO₂

SMILES:

o1c2c(cc1C(=O)N1CCC(CC1)C)cccc2

InChI:

InChI=1/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3229 kcal/mol

Physical Properties
Molecular Weight: 243.306 g/mol	logS: -4.29264	SlogP: 3.3049	Reactive groups: 0

Topological Properties
Globularity: 0.0473811	Sterimol/B1: 2.53465	Sterimol/B2: 2.64963	Sterimol/B3: 4.07008
Sterimol/B4: 5.92705	Sterimol/L: 15.1114

Surface and Volume Properties
Accessible surface: 476.223	Positive charged surface: 319.591	Negative charged surface: 151.127	Volume: 242.625
Hydrophobic surface: 419.961	Hydrophilic surface: 56.262

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.