MMsINC Database Search


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MMsINC code: MMs02678233

Type: Neutral
Formula: C₁₇H₂₂N₂

SMILES:

N(C)(C)c1ccc(cc1)CNc1cc(C)c(cc1)C

InChI:

InChI=1/C17H22N2/c1-13-5-8-16(11-14(13)2)18-12-15-6-9-17(10-7-15)19(3)4/h5-11,18H,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9809 kcal/mol

Physical Properties
Molecular Weight: 254.377 g/mol	logS: -3.82449	SlogP: 4.24794	Reactive groups: 0

Topological Properties
Globularity: 0.0553763	Sterimol/B1: 3.46101	Sterimol/B2: 3.63396	Sterimol/B3: 3.64784
Sterimol/B4: 4.84718	Sterimol/L: 16.935

Surface and Volume Properties
Accessible surface: 543.938	Positive charged surface: 384.361	Negative charged surface: 159.577	Volume: 283.375
Hydrophobic surface: 524.683	Hydrophilic surface: 19.255

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.