MMsINC Database Search


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MMsINC code: MMs00976067

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O1CC(N=C1c1n(ccc1)Cc1ccccc1OC)CC(C)C

InChI:

InChI=1/C19H24N2O2/c1-14(2)11-16-13-23-19(20-16)17-8-6-10-21(17)12-15-7-4-5-9-18(15)22-3/h4-10,14,16H,11-13H2,1-3H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9381 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.87807	SlogP: 4.0029	Reactive groups: 0

Topological Properties
Globularity: 0.0702164	Sterimol/B1: 2.33647	Sterimol/B2: 4.15492	Sterimol/B3: 5.23567
Sterimol/B4: 6.72846	Sterimol/L: 16.4696

Surface and Volume Properties
Accessible surface: 585.218	Positive charged surface: 410.385	Negative charged surface: 174.833	Volume: 325.5
Hydrophobic surface: 500.862	Hydrophilic surface: 84.356

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.