MMsINC Database Search


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MMsINC code: MMs02371304

Type: Neutral
Formula: C₁₈H₁₇N

SMILES:

N(c1cc(ccc1C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H17N/c1-13-7-8-14(2)18(11-13)19-17-10-9-15-5-3-4-6-16(15)12-17/h3-12,19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6742 kcal/mol

Physical Properties
Molecular Weight: 247.341 g/mol	logS: -5.51747	SlogP: 5.20024	Reactive groups: 0

Topological Properties
Globularity: 0.0686514	Sterimol/B1: 2.21997	Sterimol/B2: 2.56922	Sterimol/B3: 4.11437
Sterimol/B4: 7.61729	Sterimol/L: 14.2327

Surface and Volume Properties
Accessible surface: 489.942	Positive charged surface: 279.695	Negative charged surface: 201.361	Volume: 264.875
Hydrophobic surface: 480.98	Hydrophilic surface: 8.962

Pharmacophoric Properties
Hydrogen bond donors: 1	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.