MMsINC Database Search


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MMsINC code: MMs02248640

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O=C(C)c1ccc2c(cccc2)c1CN(C(=O)C)CCCC

InChI:

InChI=1/C19H23NO2/c1-4-5-12-20(15(3)22)13-19-17(14(2)21)11-10-16-8-6-7-9-18(16)19/h6-11H,4-5,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.846 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.66673	SlogP: 4.4574	Reactive groups: 0

Topological Properties
Globularity: 0.0800776	Sterimol/B1: 3.04758	Sterimol/B2: 3.65362	Sterimol/B3: 5.36827
Sterimol/B4: 5.74798	Sterimol/L: 15.2185

Surface and Volume Properties
Accessible surface: 533.789	Positive charged surface: 329.108	Negative charged surface: 194.828	Volume: 307.375
Hydrophobic surface: 466.821	Hydrophilic surface: 66.968

Pharmacophoric Properties
Hydrogen bond donors: 0	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.