MMsINC Database Search


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MMsINC code: MMs03216144

Type: Neutral
Formula: C₁₇H₁₉N

SMILES:

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

InChI:

InChI=1/C17H19N/c1-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(2)3/h4-13H,1-3H3/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6754 kcal/mol

Physical Properties
Molecular Weight: 237.346 g/mol	logS: -4.66039	SlogP: 4.23142	Reactive groups: 0

Topological Properties
Globularity: 0.00609455	Sterimol/B1: 2.51205	Sterimol/B2: 2.51627	Sterimol/B3: 3.79896
Sterimol/B4: 4.11036	Sterimol/L: 17.378

Surface and Volume Properties
Accessible surface: 519.582	Positive charged surface: 333.999	Negative charged surface: 185.584	Volume: 267.5
Hydrophobic surface: 519.35	Hydrophilic surface: 0.23199999999997

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.