MMsINC Database Search


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MMsINC code: MMs01957388

Type: Neutral
Formula: C₁₇H₂₆N₂O

SMILES:

O=C(N(C)C)N1Cc2c(cccc2)C(CC1(C)C)(C)C

InChI:

InChI=1/C17H26N2O/c1-16(2)12-17(3,4)19(15(20)18(5)6)11-13-9-7-8-10-14(13)16/h7-10H,11-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=243.013 kcal/mol

Physical Properties
Molecular Weight: 274.408 g/mol	logS: -3.23075	SlogP: 3.8965	Reactive groups: 0

Topological Properties
Globularity: 0.294659	Sterimol/B1: 3.58527	Sterimol/B2: 4.0165	Sterimol/B3: 5.08248
Sterimol/B4: 6.30416	Sterimol/L: 11.7451

Surface and Volume Properties
Accessible surface: 474.848	Positive charged surface: 346.242	Negative charged surface: 128.606	Volume: 287.375
Hydrophobic surface: 395.332	Hydrophilic surface: 79.516

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.