MMsINC Database Search


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MMsINC code: MMs02450693

Type: Neutral
Formula: C₁₉H₂₃N

SMILES:

N(C)(C)c1ccc(cc1)\C=C/c1ccc(cc1)C(C)C

InChI:

InChI=1/C19H23N/c1-15(2)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)20(3)4/h5-15H,1-4H3/b6-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.21 kcal/mol

Physical Properties
Molecular Weight: 265.4 g/mol	logS: -5.69083	SlogP: 5.0464	Reactive groups: 0

Topological Properties
Globularity: 0.124542	Sterimol/B1: 2.42352	Sterimol/B2: 3.14125	Sterimol/B3: 4.01134
Sterimol/B4: 8.51764	Sterimol/L: 13.0864

Surface and Volume Properties
Accessible surface: 519.117	Positive charged surface: 374.837	Negative charged surface: 144.28	Volume: 300.625
Hydrophobic surface: 482.46	Hydrophilic surface: 36.657

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.