MMsINC Database Search


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MMsINC code: MMs02195037

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O=C(Nc1ccccc1)NCC1C2CC(C1)CC2

InChI:

InChI=1/C15H20N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H2,16,17,18)/t11-,12+,13+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1171 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -4.01574	SlogP: 3.2443	Reactive groups: 0

Topological Properties
Globularity: 0.0539293	Sterimol/B1: 3.35697	Sterimol/B2: 3.46262	Sterimol/B3: 3.78704
Sterimol/B4: 4.49256	Sterimol/L: 15.7824

Surface and Volume Properties
Accessible surface: 489.195	Positive charged surface: 340.424	Negative charged surface: 148.771	Volume: 252.25
Hydrophobic surface: 428.029	Hydrophilic surface: 61.166

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.