MMsINC Database Search


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MMsINC code: MMs02858738

Type: Neutral
Formula: C₁₇H₁₈N₂

SMILES:

[nH]1cc(c2cc(N(C)C)ccc12)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4028 kcal/mol

Physical Properties
Molecular Weight: 250.345 g/mol	logS: -3.40512	SlogP: 3.82467	Reactive groups: 0

Topological Properties
Globularity: 0.103585	Sterimol/B1: 2.9342	Sterimol/B2: 3.90133	Sterimol/B3: 4.19554
Sterimol/B4: 6.39008	Sterimol/L: 13.6457

Surface and Volume Properties
Accessible surface: 495.393	Positive charged surface: 336.499	Negative charged surface: 153.886	Volume: 268.125
Hydrophobic surface: 450.703	Hydrophilic surface: 44.69

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.