MMsINC Database Search


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MMsINC code: MMs02408304

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

Oc1cc(C)c(N=Nc2ccc(cc2)C)cc1C(C)C

InChI:

InChI=1/C17H20N2O/c1-11(2)15-10-16(13(4)9-17(15)20)19-18-14-7-5-12(3)6-8-14/h5-11,20H,1-4H3/b19-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4105 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -4.74103	SlogP: 5.54784	Reactive groups: 0

Topological Properties
Globularity: 0.037458	Sterimol/B1: 3.54885	Sterimol/B2: 3.69944	Sterimol/B3: 4.03715
Sterimol/B4: 6.32682	Sterimol/L: 15.4507

Surface and Volume Properties
Accessible surface: 547.464	Positive charged surface: 336.734	Negative charged surface: 210.73	Volume: 282.75
Hydrophobic surface: 464.82	Hydrophilic surface: 82.644

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.