MMsINC Database Search


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MMsINC code: MMs01002537

Type: Neutral
Formula: C₁₇H₁₈N₂

SMILES:

[nH]1cc(c2c1cccc2)CNc1ccc(cc1C)C

InChI:

InChI=1/C17H18N2/c1-12-7-8-16(13(2)9-12)18-10-14-11-19-17-6-4-3-5-15(14)17/h3-9,11,18-19H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5952 kcal/mol

Physical Properties
Molecular Weight: 250.345 g/mol	logS: -3.87353	SlogP: 4.66324	Reactive groups: 0

Topological Properties
Globularity: 0.1043	Sterimol/B1: 3.10876	Sterimol/B2: 4.10012	Sterimol/B3: 4.26838
Sterimol/B4: 4.85671	Sterimol/L: 15.5179

Surface and Volume Properties
Accessible surface: 512.028	Positive charged surface: 306.266	Negative charged surface: 201.778	Volume: 267
Hydrophobic surface: 455.122	Hydrophilic surface: 56.906

Pharmacophoric Properties
Hydrogen bond donors: 2	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.